Molecule
ID:80329
General Information
Molecular Formula
C₈Cl₆S
Molecular Mass
340.8686
Exact Mass
337.78518708
Charge
0
InChI
InChI=1S/C8Cl6S/c9-2-1-3(10)8(14)15-7(1)6(13)5(12)4(2)11
InChIKey
ONNNMZUSSUCIFP-UHFFFAOYSA-N
Canonic Smiles
Clc1c(Cl)c(Cl)c(c2c1sc(c2Cl)Cl)Cl
Isomeric Smiles
s1c2c(c(c(c(c2c(c1Cl)Cl)Cl)Cl)Cl)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
6.6395345
LogD (pH = 7.4)
6.6395345
Log P
6.6395345
Molar Refractivity
67.3868
Polarizability
28.221315
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
false
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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