Molecule

ID:76135

General Information
Structure
MolImage
Molecular Formula
C₁₂H₈Cl₂O₂S
Molecular Mass
287.16172
Exact Mass
285.96220586
Charge
0
InChI
InChI=1S/C12H8Cl2O2S/c13-11-6-4-9(5-7-11)10-2-1-3-12(8-10)17(14,15)16/h1-8H
InChIKey
YSBBMXATUMXJMU-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)c1cccc(c1)S(=O)(=O)Cl
Isomeric Smiles
S(=O)(=O)(c1cc(ccc1)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
29.149237
Polar Surface Area
34.14
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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