Molecule

ID:74271

General Information
Structure
MolImage
Molecular Formula
C₁₂H₆Cl₄S₂
Molecular Mass
356.11804
Exact Mass
353.86650291
Charge
0
InChI
InChI=1S/C12H6Cl4S2/c13-7-1-8(14)4-11(3-7)17-18-12-5-9(15)2-10(16)6-12/h1-6H
InChIKey
JMQANWHMOHXBEA-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(SSc2cc(Cl)cc(c2)Cl)cc(c1)Cl
Isomeric Smiles
S(c1cc(cc(c1)Cl)Cl)Sc1cc(cc(c1)Cl)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
6.9899235
LogD (pH = 7.4)
6.9899235
Log P
6.9899235
Molar Refractivity
81.6794
Polarizability
33.566444
Polar Surface Area
0.0
Rotatable Bonds
3
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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