Molecule
ID:82845
General Information
Molecular Formula
C₁₂H₂Cl₈S₂
Molecular Mass
493.89828
Exact Mass
489.7106135
Charge
0
InChI
InChI=1S/C12H2Cl8S2/c13-3-1-4(14)8(18)11(7(3)17)21-22-12-9(19)5(15)2-6(16)10(12)20/h1-2H
InChIKey
ZNTWBKFKQSOEPV-UHFFFAOYSA-N
Canonic Smiles
Clc1c(Cl)cc(c(c1SSc1c(Cl)c(Cl)cc(c1Cl)Cl)Cl)Cl
Isomeric Smiles
S(c1c(c(cc(c1Cl)Cl)Cl)Cl)Sc1c(c(cc(c1Cl)Cl)Cl)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
9.406102
LogD (pH = 7.4)
9.406102
Log P
9.406102
Molar Refractivity
100.8986
Polarizability
41.541004
Polar Surface Area
0.0
Rotatable Bonds
3
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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