Molecule

ID:75396

General Information
Structure
Molecular Formula
C₁₂H₈Cl₂O₂S
Molecular Mass
287.16172
Exact Mass
285.96220586
Charge
0
InChI
InChI=1S/C12H8Cl2O2S/c13-11-5-1-9(2-6-11)10-3-7-12(8-4-10)17(14,15)16/h1-8H
InChIKey
NWYUSJMIHFIMTA-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)c1ccc(cc1)S(=O)(=O)Cl
Isomeric Smiles
S(=O)(=O)(c1ccc(cc1)c1ccc(cc1)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.170819
LogD (pH = 7.4)
4.170819
Log P
4.170819
Molar Refractivity
70.1932
Polarizability
29.150532
Polar Surface Area
34.14
Rotatable Bonds
2
Lipinski's Rule of Five
true
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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