Molecule

ID:92509

General Information
Structure
MolImage
Molecular Formula
C₉H₈ClNO₂S
Molecular Mass
229.68332
Exact Mass
228.99642718
Charge
0
InChI
InChI=1S/C9H8ClNO2S/c1-11-5-4-7-6-8(14(10,12)13)2-3-9(7)11/h2-6H,1H3
InChIKey
UGZYASSOUPYFAI-UHFFFAOYSA-N
Canonic Smiles
Cn1ccc2c1ccc(c2)S(=O)(=O)Cl
Isomeric Smiles
n1(c2c(cc(cc2)S(=O)(=O)Cl)cc1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.241987
LogD (pH = 7.4)
2.241987
Log P
2.241987
Molar Refractivity
56.2354
Polarizability
23.314026
Polar Surface Area
39.07
Rotatable Bonds
1
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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