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Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2021-09-10 22:47:38 UTC

Update Date

2021-09-26 22:54:22 UTC

HMDB ID

HMDB0245739

Secondary Accession Numbers

None

Metabolite Identification

Common Name

Polihexanide

Description

Polihexanide, also known as vantocil or PHMB polymer, belongs to the class of organic compounds known as biguanides. These are organic compounds containing two N-linked guanidines. Based on a literature review very few articles have been published on Polihexanide. This compound has been identified in human blood as reported by (PMID: 31557052 ). Polihexanide is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Polihexanide is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

HMDB0245739
     RDKit          3D
Polihexanide
 32 31  0  0  0  0  0  0  0  0999 V2000
   -4.8287    0.9921    0.1583 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3599   -0.3844    0.4997 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9531   -0.6966    0.1206 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9096    0.1688    0.7390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5529   -0.3292    0.2288 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5679    0.4902    0.7950 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8431   -0.0016    0.3221 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2870    0.0883   -1.0157 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5333    0.4509   -1.9795 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6394   -0.2439   -1.2986 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6352    0.3145   -0.4394 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0195    1.5388   -0.6153 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1906   -0.4788    0.5904 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4841    1.0177   -0.7575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4251    1.4466    1.0028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9418    1.6133   -0.0952 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0110   -1.1085   -0.0686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5728   -0.6144    1.5788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7439   -1.7407    0.3575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8794   -0.5280   -0.9890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9827    1.2334    0.5260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8890    0.0157    1.8562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5088   -0.2743   -0.8796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3929   -1.3865    0.4980 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4636    1.5613    0.4633 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5629    0.5257    1.8930 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4736   -0.4536    1.0220 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8924    0.5089   -2.9671 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9021   -0.8622   -2.0884 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5943    2.0951   -1.3822 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8372   -1.2464    0.3216 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9934   -0.3441    1.6031 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  3
  8 10  1  0
 10 11  1  0
 11 12  2  3
 11 13  1  0
  1 14  1  0
  1 15  1  0
  1 16  1  0
  2 17  1  0
  2 18  1  0
  3 19  1  0
  3 20  1  0
  4 21  1  0
  4 22  1  0
  5 23  1  0
  5 24  1  0
  6 25  1  0
  6 26  1  0
  7 27  1  0
  9 28  1  0
 10 29  1  0
 12 30  1  0
 13 31  1  0
 13 32  1  0
M  END

HMDB0245739
     RDKit          3D
Polihexanide
 32 31  0  0  0  0  0  0  0  0999 V2000
   -4.8287    0.9921    0.1583 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3599   -0.3844    0.4997 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9531   -0.6966    0.1206 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9096    0.1688    0.7390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5529   -0.3292    0.2288 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5679    0.4902    0.7950 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8431   -0.0016    0.3221 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2870    0.0883   -1.0157 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5333    0.4509   -1.9795 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6394   -0.2439   -1.2986 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6352    0.3145   -0.4394 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0195    1.5388   -0.6153 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1906   -0.4788    0.5904 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4841    1.0177   -0.7575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4251    1.4466    1.0028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9418    1.6133   -0.0952 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0110   -1.1085   -0.0686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5728   -0.6144    1.5788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7439   -1.7407    0.3575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8794   -0.5280   -0.9890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9827    1.2334    0.5260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8890    0.0157    1.8562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5088   -0.2743   -0.8796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3929   -1.3865    0.4980 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4636    1.5613    0.4633 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5629    0.5257    1.8930 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4736   -0.4536    1.0220 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8924    0.5089   -2.9671 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9021   -0.8622   -2.0884 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5943    2.0951   -1.3822 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8372   -1.2464    0.3216 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9934   -0.3441    1.6031 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  3
  8 10  1  0
 10 11  1  0
 11 12  2  3
 11 13  1  0
  1 14  1  0
  1 15  1  0
  1 16  1  0
  2 17  1  0
  2 18  1  0
  3 19  1  0
  3 20  1  0
  4 21  1  0
  4 22  1  0
  5 23  1  0
  5 24  1  0
  6 25  1  0
  6 26  1  0
  7 27  1  0
  9 28  1  0
 10 29  1  0
 12 30  1  0
 13 31  1  0
 13 32  1  0
M  END

HEADER    PROTEIN                                 03-JUN-16   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   03-JUN-16         0                                  
HETATM    1  C   UNK     0       7.136  -3.231   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       8.470  -4.001   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       9.804  -3.231   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      11.137  -4.001   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      12.471  -3.231   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      13.805  -4.001   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      19.139  -4.001   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      16.472  -4.001   0.000  0.00  0.00           C+0
HETATM    9  N   UNK     0      20.473  -3.231   0.000  0.00  0.00           N+0
HETATM   10  N   UNK     0      19.139  -5.541   0.000  0.00  0.00           N+0
HETATM   11  N   UNK     0      16.472  -5.541   0.000  0.00  0.00           N+0
HETATM   12  N   UNK     0      15.138  -3.231   0.000  0.00  0.00           N+0
HETATM   13  N   UNK     0      17.806  -3.231   0.000  0.00  0.00           N+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5   12                                                       
CONECT    7    9   10   13                                                  
CONECT    8   11   12   13                                                  
CONECT    9    7                                                            
CONECT   10    7                                                            
CONECT   11    8                                                            
CONECT   12    6    8                                                       
CONECT   13    7    8                                                       
MASTER        0    0    0    0    0    0    0    0   13    0   24    0
END

COMPND    HMDB0245739
HETATM    1  C1  UNL     1      -4.829   0.992   0.158  1.00  0.00           C  
HETATM    2  C2  UNL     1      -4.360  -0.384   0.500  1.00  0.00           C  
HETATM    3  C3  UNL     1      -2.953  -0.697   0.121  1.00  0.00           C  
HETATM    4  C4  UNL     1      -1.910   0.169   0.739  1.00  0.00           C  
HETATM    5  C5  UNL     1      -0.553  -0.329   0.229  1.00  0.00           C  
HETATM    6  C6  UNL     1       0.568   0.490   0.795  1.00  0.00           C  
HETATM    7  N1  UNL     1       1.843  -0.002   0.322  1.00  0.00           N  
HETATM    8  C7  UNL     1       2.287   0.088  -1.016  1.00  0.00           C  
HETATM    9  N2  UNL     1       1.533   0.451  -1.980  1.00  0.00           N  
HETATM   10  N3  UNL     1       3.639  -0.244  -1.299  1.00  0.00           N  
HETATM   11  C8  UNL     1       4.635   0.315  -0.439  1.00  0.00           C  
HETATM   12  N4  UNL     1       5.020   1.539  -0.615  1.00  0.00           N  
HETATM   13  N5  UNL     1       5.191  -0.479   0.590  1.00  0.00           N  
HETATM   14  H1  UNL     1      -5.484   1.018  -0.758  1.00  0.00           H  
HETATM   15  H2  UNL     1      -5.425   1.447   1.003  1.00  0.00           H  
HETATM   16  H3  UNL     1      -3.942   1.613  -0.095  1.00  0.00           H  
HETATM   17  H4  UNL     1      -5.011  -1.109  -0.069  1.00  0.00           H  
HETATM   18  H5  UNL     1      -4.573  -0.614   1.579  1.00  0.00           H  
HETATM   19  H6  UNL     1      -2.744  -1.741   0.357  1.00  0.00           H  
HETATM   20  H7  UNL     1      -2.879  -0.528  -0.989  1.00  0.00           H  
HETATM   21  H8  UNL     1      -1.983   1.233   0.526  1.00  0.00           H  
HETATM   22  H9  UNL     1      -1.889   0.016   1.856  1.00  0.00           H  
HETATM   23  H10 UNL     1      -0.509  -0.274  -0.880  1.00  0.00           H  
HETATM   24  H11 UNL     1      -0.393  -1.387   0.498  1.00  0.00           H  
HETATM   25  H12 UNL     1       0.464   1.561   0.463  1.00  0.00           H  
HETATM   26  H13 UNL     1       0.563   0.526   1.893  1.00  0.00           H  
HETATM   27  H14 UNL     1       2.474  -0.454   1.022  1.00  0.00           H  
HETATM   28  H15 UNL     1       1.892   0.509  -2.967  1.00  0.00           H  
HETATM   29  H16 UNL     1       3.902  -0.862  -2.088  1.00  0.00           H  
HETATM   30  H17 UNL     1       4.594   2.095  -1.382  1.00  0.00           H  
HETATM   31  H18 UNL     1       5.837  -1.246   0.322  1.00  0.00           H  
HETATM   32  H19 UNL     1       4.993  -0.344   1.603  1.00  0.00           H  
CONECT    1    2   14   15   16
CONECT    2    3   17   18
CONECT    3    4   19   20
CONECT    4    5   21   22
CONECT    5    6   23   24
CONECT    6    7   25   26
CONECT    7    8   27
CONECT    8    9    9   10
CONECT    9   28
CONECT   10   11   29
CONECT   11   12   12   13
CONECT   12   30
CONECT   13   31   32
END

HMDB0245739
     RDKit          3D
Polihexanide
 32 31  0  0  0  0  0  0  0  0999 V2000
   -4.8287    0.9921    0.1583 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3599   -0.3844    0.4997 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9531   -0.6966    0.1206 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9096    0.1688    0.7390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5529   -0.3292    0.2288 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5679    0.4902    0.7950 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8431   -0.0016    0.3221 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2870    0.0883   -1.0157 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5333    0.4509   -1.9795 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6394   -0.2439   -1.2986 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6352    0.3145   -0.4394 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0195    1.5388   -0.6153 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1906   -0.4788    0.5904 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4841    1.0177   -0.7575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4251    1.4466    1.0028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9418    1.6133   -0.0952 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0110   -1.1085   -0.0686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5728   -0.6144    1.5788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7439   -1.7407    0.3575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8794   -0.5280   -0.9890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9827    1.2334    0.5260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8890    0.0157    1.8562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5088   -0.2743   -0.8796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3929   -1.3865    0.4980 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4636    1.5613    0.4633 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5629    0.5257    1.8930 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4736   -0.4536    1.0220 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8924    0.5089   -2.9671 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9021   -0.8622   -2.0884 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5943    2.0951   -1.3822 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8372   -1.2464    0.3216 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9934   -0.3441    1.6031 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  3
  8 10  1  0
 10 11  1  0
 11 12  2  3
 11 13  1  0
  1 14  1  0
  1 15  1  0
  1 16  1  0
  2 17  1  0
  2 18  1  0
  3 19  1  0
  3 20  1  0
  4 21  1  0
  4 22  1  0
  5 23  1  0
  5 24  1  0
  6 25  1  0
  6 26  1  0
  7 27  1  0
  9 28  1  0
 10 29  1  0
 12 30  1  0
 13 31  1  0
 13 32  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
Vantocil	HMDB
Polyhexamethylenbiguanid	HMDB
Polyhexamethylene biguanide hydrochloride	HMDB
Polyhexanide	HMDB
Polyhexamethylenbiguanide	HMDB
PHMB Polymer	HMDB
Polihexanide hydrochloride	HMDB
Poly(hexamethylene biguanide)	HMDB
Lavasept	HMDB
Vantocil ib OF vantocil	HMDB
Poly(hexamethylenebiguanide) hydrochloride	HMDB
Poly(iminocarbonimidoyliminocarbonimidoylimino-1,6-hexanediyl) hydrochloride	HMDB
Polyhexamethylen-biguanide	HMDB
Polyhexamethylene biguanide	HMDB
Baquacil	HMDB
Cosmocil	HMDB
Polihexanide	MeSH

Chemical Formula

C₈H₁₉N₅

Average Molecular Weight

185.275

Monoisotopic Molecular Weight

185.164045632

IUPAC Name

1-carbamimidamido-N-hexylmethanimidamide

Traditional Name

1-carbamimidamido-N-hexylmethanimidamide

CAS Registry Number

Not Available

SMILES

CCCCCCNC(=N)NC(N)=N

InChI Identifier

InChI=1S/C8H19N5/c1-2-3-4-5-6-12-8(11)13-7(9)10/h2-6H2,1H3,(H6,9,10,11,12,13)

InChI Key

VAZJLPXFVQHDFB-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as biguanides. These are organic compounds containing two N-linked guanidines.

Kingdom

Organic compounds

Super Class

Organic nitrogen compounds

Class

Organonitrogen compounds

Sub Class

Guanidines

Direct Parent

Biguanides

Alternative Parents

Substituents

Biguanide
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Carboximidamide
Organopnictogen compound
Hydrocarbon derivative
Imine
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 31557052)

Process

Not Available

Role

Not Available

Physical Properties

State

Not Available

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
logP	-0.36	ALOGPS
logP	1.03	ChemAxon
logS	-2.8	ALOGPS
pKa (Strongest Basic)	11.97	ChemAxon
Physiological Charge	2	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	97.78 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	74.42 m³·mol⁻¹	ChemAxon
Polarizability	21.8 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M+H]+	151.075	30932474
DeepCCS	[M-H]-	147.273	30932474
DeepCCS	[M-2H]-	185.167	30932474
DeepCCS	[M+Na]+	160.508	30932474
AllCCS	[M+H]+	145.1	32859911
AllCCS	[M+H-H2O]+	141.4	32859911
AllCCS	[M+NH4]+	148.5	32859911
AllCCS	[M+Na]+	149.5	32859911
AllCCS	[M-H]-	145.6	32859911
AllCCS	[M+Na-2H]-	147.1	32859911
AllCCS	[M+HCOO]-	148.9	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Polihexanide	CCCCCCNC(=N)NC(N)=N	3162.2	Standard polar	33892256
Polihexanide	CCCCCCNC(=N)NC(N)=N	1646.9	Standard non polar	33892256
Polihexanide	CCCCCCNC(=N)NC(N)=N	2033.7	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Polihexanide,1TMS,isomer #1	CCCCCCNC(=N)NC(=N)N[Si](C)(C)C	2343.7	Semi standard non polar	33892256
Polihexanide,1TMS,isomer #1	CCCCCCNC(=N)NC(=N)N[Si](C)(C)C	1913.9	Standard non polar	33892256
Polihexanide,1TMS,isomer #1	CCCCCCNC(=N)NC(=N)N[Si](C)(C)C	4067.6	Standard polar	33892256
Polihexanide,1TMS,isomer #2	CCCCCCN(C(=N)NC(=N)N)[Si](C)(C)C	2228.9	Semi standard non polar	33892256
Polihexanide,1TMS,isomer #2	CCCCCCN(C(=N)NC(=N)N)[Si](C)(C)C	1882.9	Standard non polar	33892256
Polihexanide,1TMS,isomer #2	CCCCCCN(C(=N)NC(=N)N)[Si](C)(C)C	3958.7	Standard polar	33892256
Polihexanide,1TMS,isomer #3	CCCCCCNC(=N[Si](C)(C)C)NC(=N)N	2205.8	Semi standard non polar	33892256
Polihexanide,1TMS,isomer #3	CCCCCCNC(=N[Si](C)(C)C)NC(=N)N	1795.3	Standard non polar	33892256
Polihexanide,1TMS,isomer #3	CCCCCCNC(=N[Si](C)(C)C)NC(=N)N	3856.4	Standard polar	33892256
Polihexanide,1TMS,isomer #4	CCCCCCNC(=N)N(C(=N)N)[Si](C)(C)C	2209.9	Semi standard non polar	33892256
Polihexanide,1TMS,isomer #4	CCCCCCNC(=N)N(C(=N)N)[Si](C)(C)C	1908.6	Standard non polar	33892256
Polihexanide,1TMS,isomer #4	CCCCCCNC(=N)N(C(=N)N)[Si](C)(C)C	3631.4	Standard polar	33892256
Polihexanide,1TMS,isomer #5	CCCCCCNC(=N)NC(N)=N[Si](C)(C)C	2204.0	Semi standard non polar	33892256
Polihexanide,1TMS,isomer #5	CCCCCCNC(=N)NC(N)=N[Si](C)(C)C	1874.2	Standard non polar	33892256
Polihexanide,1TMS,isomer #5	CCCCCCNC(=N)NC(N)=N[Si](C)(C)C	3694.7	Standard polar	33892256
Polihexanide,2TMS,isomer #1	CCCCCCN(C(=N)NC(=N)N[Si](C)(C)C)[Si](C)(C)C	2335.2	Semi standard non polar	33892256
Polihexanide,2TMS,isomer #1	CCCCCCN(C(=N)NC(=N)N[Si](C)(C)C)[Si](C)(C)C	2061.0	Standard non polar	33892256
Polihexanide,2TMS,isomer #1	CCCCCCN(C(=N)NC(=N)N[Si](C)(C)C)[Si](C)(C)C	3664.6	Standard polar	33892256
Polihexanide,2TMS,isomer #10	CCCCCCNC(=N[Si](C)(C)C)NC(N)=N[Si](C)(C)C	2135.0	Semi standard non polar	33892256
Polihexanide,2TMS,isomer #10	CCCCCCNC(=N[Si](C)(C)C)NC(N)=N[Si](C)(C)C	1771.7	Standard non polar	33892256
Polihexanide,2TMS,isomer #10	CCCCCCNC(=N[Si](C)(C)C)NC(N)=N[Si](C)(C)C	3635.1	Standard polar	33892256
Polihexanide,2TMS,isomer #11	CCCCCCNC(=N)N(C(N)=N[Si](C)(C)C)[Si](C)(C)C	2176.8	Semi standard non polar	33892256
Polihexanide,2TMS,isomer #11	CCCCCCNC(=N)N(C(N)=N[Si](C)(C)C)[Si](C)(C)C	1967.9	Standard non polar	33892256
Polihexanide,2TMS,isomer #11	CCCCCCNC(=N)N(C(N)=N[Si](C)(C)C)[Si](C)(C)C	3440.4	Standard polar	33892256
Polihexanide,2TMS,isomer #2	CCCCCCNC(=N[Si](C)(C)C)NC(=N)N[Si](C)(C)C	2253.0	Semi standard non polar	33892256
Polihexanide,2TMS,isomer #2	CCCCCCNC(=N[Si](C)(C)C)NC(=N)N[Si](C)(C)C	1964.9	Standard non polar	33892256
Polihexanide,2TMS,isomer #2	CCCCCCNC(=N[Si](C)(C)C)NC(=N)N[Si](C)(C)C	3735.3	Standard polar	33892256
Polihexanide,2TMS,isomer #3	CCCCCCNC(=N)N(C(=N)N[Si](C)(C)C)[Si](C)(C)C	2311.9	Semi standard non polar	33892256
Polihexanide,2TMS,isomer #3	CCCCCCNC(=N)N(C(=N)N[Si](C)(C)C)[Si](C)(C)C	2055.6	Standard non polar	33892256
Polihexanide,2TMS,isomer #3	CCCCCCNC(=N)N(C(=N)N[Si](C)(C)C)[Si](C)(C)C	3457.8	Standard polar	33892256
Polihexanide,2TMS,isomer #4	CCCCCCNC(=N)NC(=N[Si](C)(C)C)N[Si](C)(C)C	2293.8	Semi standard non polar	33892256
Polihexanide,2TMS,isomer #4	CCCCCCNC(=N)NC(=N[Si](C)(C)C)N[Si](C)(C)C	1885.5	Standard non polar	33892256
Polihexanide,2TMS,isomer #4	CCCCCCNC(=N)NC(=N[Si](C)(C)C)N[Si](C)(C)C	3752.0	Standard polar	33892256
Polihexanide,2TMS,isomer #5	CCCCCCNC(=N)NC(=N)N([Si](C)(C)C)[Si](C)(C)C	2388.2	Semi standard non polar	33892256
Polihexanide,2TMS,isomer #5	CCCCCCNC(=N)NC(=N)N([Si](C)(C)C)[Si](C)(C)C	2056.5	Standard non polar	33892256
Polihexanide,2TMS,isomer #5	CCCCCCNC(=N)NC(=N)N([Si](C)(C)C)[Si](C)(C)C	3681.3	Standard polar	33892256
Polihexanide,2TMS,isomer #6	CCCCCCN(C(=N[Si](C)(C)C)NC(=N)N)[Si](C)(C)C	2161.1	Semi standard non polar	33892256
Polihexanide,2TMS,isomer #6	CCCCCCN(C(=N[Si](C)(C)C)NC(=N)N)[Si](C)(C)C	1850.2	Standard non polar	33892256
Polihexanide,2TMS,isomer #6	CCCCCCN(C(=N[Si](C)(C)C)NC(=N)N)[Si](C)(C)C	3746.1	Standard polar	33892256
Polihexanide,2TMS,isomer #7	CCCCCCN(C(=N)N(C(=N)N)[Si](C)(C)C)[Si](C)(C)C	2180.7	Semi standard non polar	33892256
Polihexanide,2TMS,isomer #7	CCCCCCN(C(=N)N(C(=N)N)[Si](C)(C)C)[Si](C)(C)C	2055.1	Standard non polar	33892256
Polihexanide,2TMS,isomer #7	CCCCCCN(C(=N)N(C(=N)N)[Si](C)(C)C)[Si](C)(C)C	3535.7	Standard polar	33892256
Polihexanide,2TMS,isomer #8	CCCCCCN(C(=N)NC(N)=N[Si](C)(C)C)[Si](C)(C)C	2144.1	Semi standard non polar	33892256
Polihexanide,2TMS,isomer #8	CCCCCCN(C(=N)NC(N)=N[Si](C)(C)C)[Si](C)(C)C	1991.1	Standard non polar	33892256
Polihexanide,2TMS,isomer #8	CCCCCCN(C(=N)NC(N)=N[Si](C)(C)C)[Si](C)(C)C	3618.9	Standard polar	33892256
Polihexanide,2TMS,isomer #9	CCCCCCNC(=N[Si](C)(C)C)N(C(=N)N)[Si](C)(C)C	2132.4	Semi standard non polar	33892256
Polihexanide,2TMS,isomer #9	CCCCCCNC(=N[Si](C)(C)C)N(C(=N)N)[Si](C)(C)C	1918.3	Standard non polar	33892256
Polihexanide,2TMS,isomer #9	CCCCCCNC(=N[Si](C)(C)C)N(C(=N)N)[Si](C)(C)C	3481.3	Standard polar	33892256
Polihexanide,3TMS,isomer #1	CCCCCCN(C(=N[Si](C)(C)C)NC(=N)N[Si](C)(C)C)[Si](C)(C)C	2262.9	Semi standard non polar	33892256
Polihexanide,3TMS,isomer #1	CCCCCCN(C(=N[Si](C)(C)C)NC(=N)N[Si](C)(C)C)[Si](C)(C)C	1966.9	Standard non polar	33892256
Polihexanide,3TMS,isomer #1	CCCCCCN(C(=N[Si](C)(C)C)NC(=N)N[Si](C)(C)C)[Si](C)(C)C	3379.8	Standard polar	33892256
Polihexanide,3TMS,isomer #10	CCCCCCNC(=N)NC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2326.8	Semi standard non polar	33892256
Polihexanide,3TMS,isomer #10	CCCCCCNC(=N)NC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	1958.7	Standard non polar	33892256
Polihexanide,3TMS,isomer #10	CCCCCCNC(=N)NC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3350.8	Standard polar	33892256
Polihexanide,3TMS,isomer #11	CCCCCCN(C(=N[Si](C)(C)C)N(C(=N)N)[Si](C)(C)C)[Si](C)(C)C	2124.1	Semi standard non polar	33892256
Polihexanide,3TMS,isomer #11	CCCCCCN(C(=N[Si](C)(C)C)N(C(=N)N)[Si](C)(C)C)[Si](C)(C)C	1962.7	Standard non polar	33892256
Polihexanide,3TMS,isomer #11	CCCCCCN(C(=N[Si](C)(C)C)N(C(=N)N)[Si](C)(C)C)[Si](C)(C)C	3306.3	Standard polar	33892256
Polihexanide,3TMS,isomer #12	CCCCCCN(C(=N[Si](C)(C)C)NC(N)=N[Si](C)(C)C)[Si](C)(C)C	2111.9	Semi standard non polar	33892256
Polihexanide,3TMS,isomer #12	CCCCCCN(C(=N[Si](C)(C)C)NC(N)=N[Si](C)(C)C)[Si](C)(C)C	1758.4	Standard non polar	33892256
Polihexanide,3TMS,isomer #12	CCCCCCN(C(=N[Si](C)(C)C)NC(N)=N[Si](C)(C)C)[Si](C)(C)C	3513.2	Standard polar	33892256
Polihexanide,3TMS,isomer #13	CCCCCCN(C(=N)N(C(N)=N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2139.4	Semi standard non polar	33892256
Polihexanide,3TMS,isomer #13	CCCCCCN(C(=N)N(C(N)=N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2060.7	Standard non polar	33892256
Polihexanide,3TMS,isomer #13	CCCCCCN(C(=N)N(C(N)=N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3355.2	Standard polar	33892256
Polihexanide,3TMS,isomer #14	CCCCCCNC(=N[Si](C)(C)C)N(C(N)=N[Si](C)(C)C)[Si](C)(C)C	2123.3	Semi standard non polar	33892256
Polihexanide,3TMS,isomer #14	CCCCCCNC(=N[Si](C)(C)C)N(C(N)=N[Si](C)(C)C)[Si](C)(C)C	1757.4	Standard non polar	33892256
Polihexanide,3TMS,isomer #14	CCCCCCNC(=N[Si](C)(C)C)N(C(N)=N[Si](C)(C)C)[Si](C)(C)C	3344.9	Standard polar	33892256
Polihexanide,3TMS,isomer #2	CCCCCCN(C(=N)N(C(=N)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2238.6	Semi standard non polar	33892256
Polihexanide,3TMS,isomer #2	CCCCCCN(C(=N)N(C(=N)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2176.1	Standard non polar	33892256
Polihexanide,3TMS,isomer #2	CCCCCCN(C(=N)N(C(=N)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3131.4	Standard polar	33892256
Polihexanide,3TMS,isomer #3	CCCCCCN(C(=N)NC(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2231.2	Semi standard non polar	33892256
Polihexanide,3TMS,isomer #3	CCCCCCN(C(=N)NC(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	1980.8	Standard non polar	33892256
Polihexanide,3TMS,isomer #3	CCCCCCN(C(=N)NC(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	3400.2	Standard polar	33892256
Polihexanide,3TMS,isomer #4	CCCCCCN(C(=N)NC(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2345.6	Semi standard non polar	33892256
Polihexanide,3TMS,isomer #4	CCCCCCN(C(=N)NC(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2213.7	Standard non polar	33892256
Polihexanide,3TMS,isomer #4	CCCCCCN(C(=N)NC(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3264.1	Standard polar	33892256
Polihexanide,3TMS,isomer #5	CCCCCCNC(=N[Si](C)(C)C)N(C(=N)N[Si](C)(C)C)[Si](C)(C)C	2218.2	Semi standard non polar	33892256
Polihexanide,3TMS,isomer #5	CCCCCCNC(=N[Si](C)(C)C)N(C(=N)N[Si](C)(C)C)[Si](C)(C)C	2015.2	Standard non polar	33892256
Polihexanide,3TMS,isomer #5	CCCCCCNC(=N[Si](C)(C)C)N(C(=N)N[Si](C)(C)C)[Si](C)(C)C	3207.6	Standard polar	33892256
Polihexanide,3TMS,isomer #6	CCCCCCNC(=N[Si](C)(C)C)NC(=N[Si](C)(C)C)N[Si](C)(C)C	2176.5	Semi standard non polar	33892256
Polihexanide,3TMS,isomer #6	CCCCCCNC(=N[Si](C)(C)C)NC(=N[Si](C)(C)C)N[Si](C)(C)C	1780.9	Standard non polar	33892256
Polihexanide,3TMS,isomer #6	CCCCCCNC(=N[Si](C)(C)C)NC(=N[Si](C)(C)C)N[Si](C)(C)C	3519.8	Standard polar	33892256
Polihexanide,3TMS,isomer #7	CCCCCCNC(=N[Si](C)(C)C)NC(=N)N([Si](C)(C)C)[Si](C)(C)C	2245.9	Semi standard non polar	33892256
Polihexanide,3TMS,isomer #7	CCCCCCNC(=N[Si](C)(C)C)NC(=N)N([Si](C)(C)C)[Si](C)(C)C	2051.7	Standard non polar	33892256
Polihexanide,3TMS,isomer #7	CCCCCCNC(=N[Si](C)(C)C)NC(=N)N([Si](C)(C)C)[Si](C)(C)C	3403.1	Standard polar	33892256
Polihexanide,3TMS,isomer #8	CCCCCCNC(=N)N(C(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2244.1	Semi standard non polar	33892256
Polihexanide,3TMS,isomer #8	CCCCCCNC(=N)N(C(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	1998.4	Standard non polar	33892256
Polihexanide,3TMS,isomer #8	CCCCCCNC(=N)N(C(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	3167.0	Standard polar	33892256
Polihexanide,3TMS,isomer #9	CCCCCCNC(=N)N(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2312.0	Semi standard non polar	33892256
Polihexanide,3TMS,isomer #9	CCCCCCNC(=N)N(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2199.0	Standard non polar	33892256
Polihexanide,3TMS,isomer #9	CCCCCCNC(=N)N(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3134.6	Standard polar	33892256
Polihexanide,4TMS,isomer #1	CCCCCCN(C(=N[Si](C)(C)C)N(C(=N)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2220.7	Semi standard non polar	33892256
Polihexanide,4TMS,isomer #1	CCCCCCN(C(=N[Si](C)(C)C)N(C(=N)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2077.1	Standard non polar	33892256
Polihexanide,4TMS,isomer #1	CCCCCCN(C(=N[Si](C)(C)C)N(C(=N)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2901.2	Standard polar	33892256
Polihexanide,4TMS,isomer #10	CCCCCCNC(=N)N(C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2277.2	Semi standard non polar	33892256
Polihexanide,4TMS,isomer #10	CCCCCCNC(=N)N(C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2120.7	Standard non polar	33892256
Polihexanide,4TMS,isomer #10	CCCCCCNC(=N)N(C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2845.4	Standard polar	33892256
Polihexanide,4TMS,isomer #11	CCCCCCN(C(=N[Si](C)(C)C)N(C(N)=N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2133.4	Semi standard non polar	33892256
Polihexanide,4TMS,isomer #11	CCCCCCN(C(=N[Si](C)(C)C)N(C(N)=N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	1830.5	Standard non polar	33892256
Polihexanide,4TMS,isomer #11	CCCCCCN(C(=N[Si](C)(C)C)N(C(N)=N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3221.1	Standard polar	33892256
Polihexanide,4TMS,isomer #2	CCCCCCN(C(=N[Si](C)(C)C)NC(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2203.8	Semi standard non polar	33892256
Polihexanide,4TMS,isomer #2	CCCCCCN(C(=N[Si](C)(C)C)NC(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	1803.7	Standard non polar	33892256
Polihexanide,4TMS,isomer #2	CCCCCCN(C(=N[Si](C)(C)C)NC(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	3233.5	Standard polar	33892256
Polihexanide,4TMS,isomer #3	CCCCCCN(C(=N[Si](C)(C)C)NC(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2280.1	Semi standard non polar	33892256
Polihexanide,4TMS,isomer #3	CCCCCCN(C(=N[Si](C)(C)C)NC(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2067.4	Standard non polar	33892256
Polihexanide,4TMS,isomer #3	CCCCCCN(C(=N[Si](C)(C)C)NC(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3120.7	Standard polar	33892256
Polihexanide,4TMS,isomer #4	CCCCCCN(C(=N)N(C(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2215.3	Semi standard non polar	33892256
Polihexanide,4TMS,isomer #4	CCCCCCN(C(=N)N(C(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2083.8	Standard non polar	33892256
Polihexanide,4TMS,isomer #4	CCCCCCN(C(=N)N(C(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2913.5	Standard polar	33892256
Polihexanide,4TMS,isomer #5	CCCCCCN(C(=N)N(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2283.1	Semi standard non polar	33892256
Polihexanide,4TMS,isomer #5	CCCCCCN(C(=N)N(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2310.2	Standard non polar	33892256
Polihexanide,4TMS,isomer #5	CCCCCCN(C(=N)N(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2925.7	Standard polar	33892256
Polihexanide,4TMS,isomer #6	CCCCCCN(C(=N)NC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2298.1	Semi standard non polar	33892256
Polihexanide,4TMS,isomer #6	CCCCCCN(C(=N)NC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2054.5	Standard non polar	33892256
Polihexanide,4TMS,isomer #6	CCCCCCN(C(=N)NC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3079.6	Standard polar	33892256
Polihexanide,4TMS,isomer #7	CCCCCCNC(=N[Si](C)(C)C)N(C(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2188.6	Semi standard non polar	33892256
Polihexanide,4TMS,isomer #7	CCCCCCNC(=N[Si](C)(C)C)N(C(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	1810.4	Standard non polar	33892256
Polihexanide,4TMS,isomer #7	CCCCCCNC(=N[Si](C)(C)C)N(C(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2987.1	Standard polar	33892256
Polihexanide,4TMS,isomer #8	CCCCCCNC(=N[Si](C)(C)C)N(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2220.7	Semi standard non polar	33892256
Polihexanide,4TMS,isomer #8	CCCCCCNC(=N[Si](C)(C)C)N(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2141.9	Standard non polar	33892256
Polihexanide,4TMS,isomer #8	CCCCCCNC(=N[Si](C)(C)C)N(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2983.7	Standard polar	33892256
Polihexanide,4TMS,isomer #9	CCCCCCNC(=N[Si](C)(C)C)NC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2223.5	Semi standard non polar	33892256
Polihexanide,4TMS,isomer #9	CCCCCCNC(=N[Si](C)(C)C)NC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	1814.9	Standard non polar	33892256
Polihexanide,4TMS,isomer #9	CCCCCCNC(=N[Si](C)(C)C)NC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3221.6	Standard polar	33892256
Polihexanide,5TMS,isomer #1	CCCCCCN(C(=N[Si](C)(C)C)N(C(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2208.2	Semi standard non polar	33892256
Polihexanide,5TMS,isomer #1	CCCCCCN(C(=N[Si](C)(C)C)N(C(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	1895.2	Standard non polar	33892256
Polihexanide,5TMS,isomer #1	CCCCCCN(C(=N[Si](C)(C)C)N(C(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2651.0	Standard polar	33892256
Polihexanide,5TMS,isomer #2	CCCCCCN(C(=N[Si](C)(C)C)N(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2297.9	Semi standard non polar	33892256
Polihexanide,5TMS,isomer #2	CCCCCCN(C(=N[Si](C)(C)C)N(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2214.6	Standard non polar	33892256
Polihexanide,5TMS,isomer #2	CCCCCCN(C(=N[Si](C)(C)C)N(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2664.1	Standard polar	33892256
Polihexanide,5TMS,isomer #3	CCCCCCN(C(=N[Si](C)(C)C)NC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2280.6	Semi standard non polar	33892256
Polihexanide,5TMS,isomer #3	CCCCCCN(C(=N[Si](C)(C)C)NC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	1877.1	Standard non polar	33892256
Polihexanide,5TMS,isomer #3	CCCCCCN(C(=N[Si](C)(C)C)NC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2942.6	Standard polar	33892256
Polihexanide,5TMS,isomer #4	CCCCCCN(C(=N)N(C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2323.6	Semi standard non polar	33892256
Polihexanide,5TMS,isomer #4	CCCCCCN(C(=N)N(C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2204.7	Standard non polar	33892256
Polihexanide,5TMS,isomer #4	CCCCCCN(C(=N)N(C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2605.9	Standard polar	33892256
Polihexanide,5TMS,isomer #5	CCCCCCNC(=N[Si](C)(C)C)N(C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2241.7	Semi standard non polar	33892256
Polihexanide,5TMS,isomer #5	CCCCCCNC(=N[Si](C)(C)C)N(C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	1899.6	Standard non polar	33892256
Polihexanide,5TMS,isomer #5	CCCCCCNC(=N[Si](C)(C)C)N(C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2666.0	Standard polar	33892256
Polihexanide,6TMS,isomer #1	CCCCCCN(C(=N[Si](C)(C)C)N(C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2330.5	Semi standard non polar	33892256
Polihexanide,6TMS,isomer #1	CCCCCCN(C(=N[Si](C)(C)C)N(C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2064.9	Standard non polar	33892256
Polihexanide,6TMS,isomer #1	CCCCCCN(C(=N[Si](C)(C)C)N(C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2340.4	Standard polar	33892256
Polihexanide,1TBDMS,isomer #1	CCCCCCNC(=N)NC(=N)N[Si](C)(C)C(C)(C)C	2550.6	Semi standard non polar	33892256
Polihexanide,1TBDMS,isomer #1	CCCCCCNC(=N)NC(=N)N[Si](C)(C)C(C)(C)C	2085.4	Standard non polar	33892256
Polihexanide,1TBDMS,isomer #1	CCCCCCNC(=N)NC(=N)N[Si](C)(C)C(C)(C)C	3938.5	Standard polar	33892256
Polihexanide,1TBDMS,isomer #2	CCCCCCN(C(=N)NC(=N)N)[Si](C)(C)C(C)(C)C	2368.1	Semi standard non polar	33892256
Polihexanide,1TBDMS,isomer #2	CCCCCCN(C(=N)NC(=N)N)[Si](C)(C)C(C)(C)C	2066.5	Standard non polar	33892256
Polihexanide,1TBDMS,isomer #2	CCCCCCN(C(=N)NC(=N)N)[Si](C)(C)C(C)(C)C	3963.1	Standard polar	33892256
Polihexanide,1TBDMS,isomer #3	CCCCCCNC(=N[Si](C)(C)C(C)(C)C)NC(=N)N	2402.7	Semi standard non polar	33892256
Polihexanide,1TBDMS,isomer #3	CCCCCCNC(=N[Si](C)(C)C(C)(C)C)NC(=N)N	1943.1	Standard non polar	33892256
Polihexanide,1TBDMS,isomer #3	CCCCCCNC(=N[Si](C)(C)C(C)(C)C)NC(=N)N	3872.8	Standard polar	33892256
Polihexanide,1TBDMS,isomer #4	CCCCCCNC(=N)N(C(=N)N)[Si](C)(C)C(C)(C)C	2417.9	Semi standard non polar	33892256
Polihexanide,1TBDMS,isomer #4	CCCCCCNC(=N)N(C(=N)N)[Si](C)(C)C(C)(C)C	2118.6	Standard non polar	33892256
Polihexanide,1TBDMS,isomer #4	CCCCCCNC(=N)N(C(=N)N)[Si](C)(C)C(C)(C)C	3621.5	Standard polar	33892256
Polihexanide,1TBDMS,isomer #5	CCCCCCNC(=N)NC(N)=N[Si](C)(C)C(C)(C)C	2413.6	Semi standard non polar	33892256
Polihexanide,1TBDMS,isomer #5	CCCCCCNC(=N)NC(N)=N[Si](C)(C)C(C)(C)C	2032.9	Standard non polar	33892256
Polihexanide,1TBDMS,isomer #5	CCCCCCNC(=N)NC(N)=N[Si](C)(C)C(C)(C)C	3741.3	Standard polar	33892256
Polihexanide,2TBDMS,isomer #1	CCCCCCN(C(=N)NC(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2732.9	Semi standard non polar	33892256
Polihexanide,2TBDMS,isomer #1	CCCCCCN(C(=N)NC(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2451.1	Standard non polar	33892256
Polihexanide,2TBDMS,isomer #1	CCCCCCN(C(=N)NC(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3483.8	Standard polar	33892256
Polihexanide,2TBDMS,isomer #10	CCCCCCNC(=N[Si](C)(C)C(C)(C)C)NC(N)=N[Si](C)(C)C(C)(C)C	2550.1	Semi standard non polar	33892256
Polihexanide,2TBDMS,isomer #10	CCCCCCNC(=N[Si](C)(C)C(C)(C)C)NC(N)=N[Si](C)(C)C(C)(C)C	2097.0	Standard non polar	33892256
Polihexanide,2TBDMS,isomer #10	CCCCCCNC(=N[Si](C)(C)C(C)(C)C)NC(N)=N[Si](C)(C)C(C)(C)C	3602.2	Standard polar	33892256
Polihexanide,2TBDMS,isomer #11	CCCCCCNC(=N)N(C(N)=N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2575.6	Semi standard non polar	33892256
Polihexanide,2TBDMS,isomer #11	CCCCCCNC(=N)N(C(N)=N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2333.2	Standard non polar	33892256
Polihexanide,2TBDMS,isomer #11	CCCCCCNC(=N)N(C(N)=N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3437.1	Standard polar	33892256
Polihexanide,2TBDMS,isomer #2	CCCCCCNC(=N[Si](C)(C)C(C)(C)C)NC(=N)N[Si](C)(C)C(C)(C)C	2707.6	Semi standard non polar	33892256
Polihexanide,2TBDMS,isomer #2	CCCCCCNC(=N[Si](C)(C)C(C)(C)C)NC(=N)N[Si](C)(C)C(C)(C)C	2318.7	Standard non polar	33892256
Polihexanide,2TBDMS,isomer #2	CCCCCCNC(=N[Si](C)(C)C(C)(C)C)NC(=N)N[Si](C)(C)C(C)(C)C	3509.8	Standard polar	33892256
Polihexanide,2TBDMS,isomer #3	CCCCCCNC(=N)N(C(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2707.9	Semi standard non polar	33892256
Polihexanide,2TBDMS,isomer #3	CCCCCCNC(=N)N(C(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2466.1	Standard non polar	33892256
Polihexanide,2TBDMS,isomer #3	CCCCCCNC(=N)N(C(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3330.2	Standard polar	33892256
Polihexanide,2TBDMS,isomer #4	CCCCCCNC(=N)NC(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	2719.6	Semi standard non polar	33892256
Polihexanide,2TBDMS,isomer #4	CCCCCCNC(=N)NC(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	2230.8	Standard non polar	33892256
Polihexanide,2TBDMS,isomer #4	CCCCCCNC(=N)NC(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	3540.9	Standard polar	33892256
Polihexanide,2TBDMS,isomer #5	CCCCCCNC(=N)NC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2728.9	Semi standard non polar	33892256
Polihexanide,2TBDMS,isomer #5	CCCCCCNC(=N)NC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2433.1	Standard non polar	33892256
Polihexanide,2TBDMS,isomer #5	CCCCCCNC(=N)NC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3584.7	Standard polar	33892256
Polihexanide,2TBDMS,isomer #6	CCCCCCN(C(=N[Si](C)(C)C(C)(C)C)NC(=N)N)[Si](C)(C)C(C)(C)C	2544.0	Semi standard non polar	33892256
Polihexanide,2TBDMS,isomer #6	CCCCCCN(C(=N[Si](C)(C)C(C)(C)C)NC(=N)N)[Si](C)(C)C(C)(C)C	2182.3	Standard non polar	33892256
Polihexanide,2TBDMS,isomer #6	CCCCCCN(C(=N[Si](C)(C)C(C)(C)C)NC(=N)N)[Si](C)(C)C(C)(C)C	3679.0	Standard polar	33892256
Polihexanide,2TBDMS,isomer #7	CCCCCCN(C(=N)N(C(=N)N)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2564.4	Semi standard non polar	33892256
Polihexanide,2TBDMS,isomer #7	CCCCCCN(C(=N)N(C(=N)N)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2471.4	Standard non polar	33892256
Polihexanide,2TBDMS,isomer #7	CCCCCCN(C(=N)N(C(=N)N)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3487.2	Standard polar	33892256
Polihexanide,2TBDMS,isomer #8	CCCCCCN(C(=N)NC(N)=N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2575.2	Semi standard non polar	33892256
Polihexanide,2TBDMS,isomer #8	CCCCCCN(C(=N)NC(N)=N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2361.6	Standard non polar	33892256
Polihexanide,2TBDMS,isomer #8	CCCCCCN(C(=N)NC(N)=N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3600.0	Standard polar	33892256
Polihexanide,2TBDMS,isomer #9	CCCCCCNC(=N[Si](C)(C)C(C)(C)C)N(C(=N)N)[Si](C)(C)C(C)(C)C	2534.6	Semi standard non polar	33892256
Polihexanide,2TBDMS,isomer #9	CCCCCCNC(=N[Si](C)(C)C(C)(C)C)N(C(=N)N)[Si](C)(C)C(C)(C)C	2259.9	Standard non polar	33892256
Polihexanide,2TBDMS,isomer #9	CCCCCCNC(=N[Si](C)(C)C(C)(C)C)N(C(=N)N)[Si](C)(C)C(C)(C)C	3452.9	Standard polar	33892256
Polihexanide,3TBDMS,isomer #1	CCCCCCN(C(=N[Si](C)(C)C(C)(C)C)NC(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2875.4	Semi standard non polar	33892256
Polihexanide,3TBDMS,isomer #1	CCCCCCN(C(=N[Si](C)(C)C(C)(C)C)NC(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2471.1	Standard non polar	33892256
Polihexanide,3TBDMS,isomer #1	CCCCCCN(C(=N[Si](C)(C)C(C)(C)C)NC(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3335.1	Standard polar	33892256
Polihexanide,3TBDMS,isomer #10	CCCCCCNC(=N)NC(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2874.3	Semi standard non polar	33892256
Polihexanide,3TBDMS,isomer #10	CCCCCCNC(=N)NC(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2496.0	Standard non polar	33892256
Polihexanide,3TBDMS,isomer #10	CCCCCCNC(=N)NC(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3329.5	Standard polar	33892256
Polihexanide,3TBDMS,isomer #11	CCCCCCN(C(=N[Si](C)(C)C(C)(C)C)N(C(=N)N)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2737.1	Semi standard non polar	33892256
Polihexanide,3TBDMS,isomer #11	CCCCCCN(C(=N[Si](C)(C)C(C)(C)C)N(C(=N)N)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2499.3	Standard non polar	33892256
Polihexanide,3TBDMS,isomer #11	CCCCCCN(C(=N[Si](C)(C)C(C)(C)C)N(C(=N)N)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3384.4	Standard polar	33892256
Polihexanide,3TBDMS,isomer #12	CCCCCCN(C(=N[Si](C)(C)C(C)(C)C)NC(N)=N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2717.9	Semi standard non polar	33892256
Polihexanide,3TBDMS,isomer #12	CCCCCCN(C(=N[Si](C)(C)C(C)(C)C)NC(N)=N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2214.0	Standard non polar	33892256
Polihexanide,3TBDMS,isomer #12	CCCCCCN(C(=N[Si](C)(C)C(C)(C)C)NC(N)=N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3563.4	Standard polar	33892256
Polihexanide,3TBDMS,isomer #13	CCCCCCN(C(=N)N(C(N)=N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2752.4	Semi standard non polar	33892256
Polihexanide,3TBDMS,isomer #13	CCCCCCN(C(=N)N(C(N)=N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2619.9	Standard non polar	33892256
Polihexanide,3TBDMS,isomer #13	CCCCCCN(C(=N)N(C(N)=N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3440.0	Standard polar	33892256
Polihexanide,3TBDMS,isomer #14	CCCCCCNC(=N[Si](C)(C)C(C)(C)C)N(C(N)=N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2680.7	Semi standard non polar	33892256
Polihexanide,3TBDMS,isomer #14	CCCCCCNC(=N[Si](C)(C)C(C)(C)C)N(C(N)=N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2238.5	Standard non polar	33892256
Polihexanide,3TBDMS,isomer #14	CCCCCCNC(=N[Si](C)(C)C(C)(C)C)N(C(N)=N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3427.6	Standard polar	33892256
Polihexanide,3TBDMS,isomer #2	CCCCCCN(C(=N)N(C(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2853.5	Semi standard non polar	33892256
Polihexanide,3TBDMS,isomer #2	CCCCCCN(C(=N)N(C(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2774.8	Standard non polar	33892256
Polihexanide,3TBDMS,isomer #2	CCCCCCN(C(=N)N(C(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3192.7	Standard polar	33892256
Polihexanide,3TBDMS,isomer #3	CCCCCCN(C(=N)NC(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2868.0	Semi standard non polar	33892256
Polihexanide,3TBDMS,isomer #3	CCCCCCN(C(=N)NC(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2512.1	Standard non polar	33892256
Polihexanide,3TBDMS,isomer #3	CCCCCCN(C(=N)NC(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3331.2	Standard polar	33892256
Polihexanide,3TBDMS,isomer #4	CCCCCCN(C(=N)NC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2903.2	Semi standard non polar	33892256
Polihexanide,3TBDMS,isomer #4	CCCCCCN(C(=N)NC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2778.4	Standard non polar	33892256
Polihexanide,3TBDMS,isomer #4	CCCCCCN(C(=N)NC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3303.3	Standard polar	33892256
Polihexanide,3TBDMS,isomer #5	CCCCCCNC(=N[Si](C)(C)C(C)(C)C)N(C(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2798.6	Semi standard non polar	33892256
Polihexanide,3TBDMS,isomer #5	CCCCCCNC(=N[Si](C)(C)C(C)(C)C)N(C(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2526.5	Standard non polar	33892256
Polihexanide,3TBDMS,isomer #5	CCCCCCNC(=N[Si](C)(C)C(C)(C)C)N(C(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3207.4	Standard polar	33892256
Polihexanide,3TBDMS,isomer #6	CCCCCCNC(=N[Si](C)(C)C(C)(C)C)NC(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	2821.3	Semi standard non polar	33892256
Polihexanide,3TBDMS,isomer #6	CCCCCCNC(=N[Si](C)(C)C(C)(C)C)NC(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	2231.9	Standard non polar	33892256
Polihexanide,3TBDMS,isomer #6	CCCCCCNC(=N[Si](C)(C)C(C)(C)C)NC(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	3377.1	Standard polar	33892256
Polihexanide,3TBDMS,isomer #7	CCCCCCNC(=N[Si](C)(C)C(C)(C)C)NC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2847.3	Semi standard non polar	33892256
Polihexanide,3TBDMS,isomer #7	CCCCCCNC(=N[Si](C)(C)C(C)(C)C)NC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2635.0	Standard non polar	33892256
Polihexanide,3TBDMS,isomer #7	CCCCCCNC(=N[Si](C)(C)C(C)(C)C)NC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3356.8	Standard polar	33892256
Polihexanide,3TBDMS,isomer #8	CCCCCCNC(=N)N(C(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2809.2	Semi standard non polar	33892256
Polihexanide,3TBDMS,isomer #8	CCCCCCNC(=N)N(C(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2500.1	Standard non polar	33892256
Polihexanide,3TBDMS,isomer #8	CCCCCCNC(=N)N(C(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3169.7	Standard polar	33892256
Polihexanide,3TBDMS,isomer #9	CCCCCCNC(=N)N(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2847.8	Semi standard non polar	33892256
Polihexanide,3TBDMS,isomer #9	CCCCCCNC(=N)N(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2749.7	Standard non polar	33892256
Polihexanide,3TBDMS,isomer #9	CCCCCCNC(=N)N(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3192.1	Standard polar	33892256
Polihexanide,4TBDMS,isomer #1	CCCCCCN(C(=N[Si](C)(C)C(C)(C)C)N(C(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3034.4	Semi standard non polar	33892256
Polihexanide,4TBDMS,isomer #1	CCCCCCN(C(=N[Si](C)(C)C(C)(C)C)N(C(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2755.3	Standard non polar	33892256
Polihexanide,4TBDMS,isomer #1	CCCCCCN(C(=N[Si](C)(C)C(C)(C)C)N(C(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3046.7	Standard polar	33892256
Polihexanide,4TBDMS,isomer #10	CCCCCCNC(=N)N(C(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3032.0	Semi standard non polar	33892256
Polihexanide,4TBDMS,isomer #10	CCCCCCNC(=N)N(C(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2797.8	Standard non polar	33892256
Polihexanide,4TBDMS,isomer #10	CCCCCCNC(=N)N(C(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2998.8	Standard polar	33892256
Polihexanide,4TBDMS,isomer #11	CCCCCCN(C(=N[Si](C)(C)C(C)(C)C)N(C(N)=N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2935.7	Semi standard non polar	33892256
Polihexanide,4TBDMS,isomer #11	CCCCCCN(C(=N[Si](C)(C)C(C)(C)C)N(C(N)=N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2517.0	Standard non polar	33892256
Polihexanide,4TBDMS,isomer #11	CCCCCCN(C(=N[Si](C)(C)C(C)(C)C)N(C(N)=N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3379.6	Standard polar	33892256
Polihexanide,4TBDMS,isomer #2	CCCCCCN(C(=N[Si](C)(C)C(C)(C)C)NC(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2992.3	Semi standard non polar	33892256
Polihexanide,4TBDMS,isomer #2	CCCCCCN(C(=N[Si](C)(C)C(C)(C)C)NC(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2404.1	Standard non polar	33892256
Polihexanide,4TBDMS,isomer #2	CCCCCCN(C(=N[Si](C)(C)C(C)(C)C)NC(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3228.8	Standard polar	33892256
Polihexanide,4TBDMS,isomer #3	CCCCCCN(C(=N[Si](C)(C)C(C)(C)C)NC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3080.1	Semi standard non polar	33892256
Polihexanide,4TBDMS,isomer #3	CCCCCCN(C(=N[Si](C)(C)C(C)(C)C)NC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2764.5	Standard non polar	33892256
Polihexanide,4TBDMS,isomer #3	CCCCCCN(C(=N[Si](C)(C)C(C)(C)C)NC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3197.0	Standard polar	33892256
Polihexanide,4TBDMS,isomer #4	CCCCCCN(C(=N)N(C(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3004.3	Semi standard non polar	33892256
Polihexanide,4TBDMS,isomer #4	CCCCCCN(C(=N)N(C(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2753.2	Standard non polar	33892256
Polihexanide,4TBDMS,isomer #4	CCCCCCN(C(=N)N(C(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3070.3	Standard polar	33892256
Polihexanide,4TBDMS,isomer #5	CCCCCCN(C(=N)N(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3046.9	Semi standard non polar	33892256
Polihexanide,4TBDMS,isomer #5	CCCCCCN(C(=N)N(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3047.5	Standard non polar	33892256
Polihexanide,4TBDMS,isomer #5	CCCCCCN(C(=N)N(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3090.6	Standard polar	33892256
Polihexanide,4TBDMS,isomer #6	CCCCCCN(C(=N)NC(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3082.6	Semi standard non polar	33892256
Polihexanide,4TBDMS,isomer #6	CCCCCCN(C(=N)NC(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2744.9	Standard non polar	33892256
Polihexanide,4TBDMS,isomer #6	CCCCCCN(C(=N)NC(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3161.0	Standard polar	33892256
Polihexanide,4TBDMS,isomer #7	CCCCCCNC(=N[Si](C)(C)C(C)(C)C)N(C(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2903.5	Semi standard non polar	33892256
Polihexanide,4TBDMS,isomer #7	CCCCCCNC(=N[Si](C)(C)C(C)(C)C)N(C(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2421.6	Standard non polar	33892256
Polihexanide,4TBDMS,isomer #7	CCCCCCNC(=N[Si](C)(C)C(C)(C)C)N(C(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3073.1	Standard polar	33892256
Polihexanide,4TBDMS,isomer #8	CCCCCCNC(=N[Si](C)(C)C(C)(C)C)N(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2993.4	Semi standard non polar	33892256
Polihexanide,4TBDMS,isomer #8	CCCCCCNC(=N[Si](C)(C)C(C)(C)C)N(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2813.8	Standard non polar	33892256
Polihexanide,4TBDMS,isomer #8	CCCCCCNC(=N[Si](C)(C)C(C)(C)C)N(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3092.1	Standard polar	33892256
Polihexanide,4TBDMS,isomer #9	CCCCCCNC(=N[Si](C)(C)C(C)(C)C)NC(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2988.5	Semi standard non polar	33892256
Polihexanide,4TBDMS,isomer #9	CCCCCCNC(=N[Si](C)(C)C(C)(C)C)NC(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2493.8	Standard non polar	33892256
Polihexanide,4TBDMS,isomer #9	CCCCCCNC(=N[Si](C)(C)C(C)(C)C)NC(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3210.6	Standard polar	33892256
Polihexanide,5TBDMS,isomer #1	CCCCCCN(C(=N[Si](C)(C)C(C)(C)C)N(C(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3159.1	Semi standard non polar	33892256
Polihexanide,5TBDMS,isomer #1	CCCCCCN(C(=N[Si](C)(C)C(C)(C)C)N(C(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2721.7	Standard non polar	33892256
Polihexanide,5TBDMS,isomer #1	CCCCCCN(C(=N[Si](C)(C)C(C)(C)C)N(C(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2970.6	Standard polar	33892256
Polihexanide,5TBDMS,isomer #2	CCCCCCN(C(=N[Si](C)(C)C(C)(C)C)N(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3250.6	Semi standard non polar	33892256
Polihexanide,5TBDMS,isomer #2	CCCCCCN(C(=N[Si](C)(C)C(C)(C)C)N(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3054.0	Standard non polar	33892256
Polihexanide,5TBDMS,isomer #2	CCCCCCN(C(=N[Si](C)(C)C(C)(C)C)N(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2957.6	Standard polar	33892256
Polihexanide,5TBDMS,isomer #3	CCCCCCN(C(=N[Si](C)(C)C(C)(C)C)NC(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3233.0	Semi standard non polar	33892256
Polihexanide,5TBDMS,isomer #3	CCCCCCN(C(=N[Si](C)(C)C(C)(C)C)NC(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2723.5	Standard non polar	33892256
Polihexanide,5TBDMS,isomer #3	CCCCCCN(C(=N[Si](C)(C)C(C)(C)C)NC(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3121.4	Standard polar	33892256
Polihexanide,5TBDMS,isomer #4	CCCCCCN(C(=N)N(C(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3259.7	Semi standard non polar	33892256
Polihexanide,5TBDMS,isomer #4	CCCCCCN(C(=N)N(C(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3064.3	Standard non polar	33892256
Polihexanide,5TBDMS,isomer #4	CCCCCCN(C(=N)N(C(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2942.2	Standard polar	33892256
Polihexanide,5TBDMS,isomer #5	CCCCCCNC(=N[Si](C)(C)C(C)(C)C)N(C(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3182.5	Semi standard non polar	33892256
Polihexanide,5TBDMS,isomer #5	CCCCCCNC(=N[Si](C)(C)C(C)(C)C)N(C(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2790.3	Standard non polar	33892256
Polihexanide,5TBDMS,isomer #5	CCCCCCNC(=N[Si](C)(C)C(C)(C)C)N(C(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2948.5	Standard polar	33892256
Polihexanide,6TBDMS,isomer #1	CCCCCCN(C(=N[Si](C)(C)C(C)(C)C)N(C(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3451.0	Semi standard non polar	33892256
Polihexanide,6TBDMS,isomer #1	CCCCCCN(C(=N[Si](C)(C)C(C)(C)C)N(C(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3098.8	Standard non polar	33892256
Polihexanide,6TBDMS,isomer #1	CCCCCCN(C(=N[Si](C)(C)C(C)(C)C)N(C(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2855.7	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Polihexanide GC-MS (Non-derivatized) - 70eV, Positive	splash10-01ox-9400000000-22cf378e1504489a8958	2021-09-23	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Polihexanide GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Polihexanide 10V, Positive-QTOF	splash10-000i-2900000000-b5a9ee8393c2fbcf0bfb	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Polihexanide 20V, Positive-QTOF	splash10-03du-9700000000-73cf841565ebfe978842	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Polihexanide 40V, Positive-QTOF	splash10-03dl-9000000000-87fd6406578119e29d8b	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Polihexanide 10V, Negative-QTOF	splash10-0006-1900000000-7ab2ff8b7d06d8b85084	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Polihexanide 20V, Negative-QTOF	splash10-0udl-3900000000-79b89919f5970ab876ca	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Polihexanide 40V, Negative-QTOF	splash10-0pbc-9200000000-a7ff6b6339b57d482aeb	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Polihexanide 10V, Positive-QTOF	splash10-000i-1900000000-ff5e587239537cb7cb4b	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Polihexanide 20V, Positive-QTOF	splash10-0ikl-9400000000-24e38871ac608da8d793	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Polihexanide 40V, Positive-QTOF	splash10-0006-9100000000-88b3580353ff388cca69	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Polihexanide 10V, Negative-QTOF	splash10-001i-1900000000-55bbd60cc5d08c85663d	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Polihexanide 20V, Negative-QTOF	splash10-0006-9000000000-9ba8292224790e538ce6	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Polihexanide 40V, Negative-QTOF	splash10-0006-9000000000-ae0a02c8cb271b36ef02	2021-10-12	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Blood

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected but not Quantified	Not Quantified	Not Specified	Not Specified	Normal	31557052	details

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

19733

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Polyhexanide

METLIN ID

Not Available

PubChem Compound

20977

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Barupal DK, Fiehn O: Generating the Blood Exposome Database Using a Comprehensive Text Mining and Database Fusion Approach. Environ Health Perspect. 2019 Sep;127(9):97008. doi: 10.1289/EHP4713. Epub 2019 Sep 26. [PubMed:31557052 ]

Showing metabocard for Polihexanide (HMDB0245739)

MOL for HMDB0245739 (Polihexanide)

3D MOL for HMDB0245739 (Polihexanide)

3D SDF for HMDB0245739 (Polihexanide)

3D-SDF for HMDB0245739 (Polihexanide)

PDB for HMDB0245739 (Polihexanide)

3D PDB for HMDB0245739 (Polihexanide)

SMILES for HMDB0245739 (Polihexanide)

INCHI for HMDB0245739 (Polihexanide)

Structure for HMDB0245739 (Polihexanide)

3D Structure for HMDB0245739 (Polihexanide)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra