Molecule

ID:34952

General Information
Structure
MolImage
Molecular Formula
C₉H₆ClNO₂S
Molecular Mass
227.66744
Exact Mass
226.98077712
Charge
0
InChI
InChI=1S/C9H6ClNO2S/c10-14(12,13)8-5-1-3-7-4-2-6-11-9(7)8/h1-6H
InChIKey
JUYUYCIJACTHMK-UHFFFAOYSA-N
Canonic Smiles
ClS(=O)(=O)c1cccc2c1nccc2
Isomeric Smiles
S(=O)(=O)(c1c2ncccc2ccc1)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.0772026
LogD (pH = 7.4)
2.0772035
Log P
2.0772035
Molar Refractivity
54.1735
Polarizability
22.969707
Polar Surface Area
47.03
Rotatable Bonds
1
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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