Molecule

ID:129779

General Information
Structure
Molecular Formula
C₁₂H₆Cl₄O₂S
Molecular Mass
356.05184
Exact Mass
353.88426115
Charge
0
InChI
InChI=1S/C12H6Cl4O2S/c13-7-1-3-8(4-2-7)19(17,18)12-6-10(15)9(14)5-11(12)16/h1-6H
InChIKey
MLGCXEBRWGEOQX-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)S(=O)(=O)c1cc(Cl)c(cc1Cl)Cl
Isomeric Smiles
c1cc(ccc1S(=O)(=O)c1cc(c(cc1Cl)Cl)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.3442593
LogD (pH = 7.4)
5.3442593
Log P
5.3442593
Molar Refractivity
78.8094
Polarizability
32.076054
Polar Surface Area
34.14
Rotatable Bonds
2
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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