Molecule

ID:114415

General Information
Structure
MolImage
Molecular Formula
C₈H₆Cl₂O₂S
Molecular Mass
237.10304
Exact Mass
235.94655579
Charge
0
InChI
InChI=1S/C8H6Cl2O2S/c9-8-3-1-7(2-4-8)5-6-13(10,11)12/h1-6H/b6-5+
InChIKey
HVBRPCXLQIUQLT-AATRIKPKSA-N
Canonic Smiles
Clc1ccc(cc1)/C=C/S(=O)(=O)Cl
Isomeric Smiles
S(=O)(=O)(/C=C/c1ccc(Cl)cc1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.7445543
LogD (pH = 7.4)
2.7445543
Log P
2.7445543
Molar Refractivity
54.8335
Polarizability
21.843786
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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