Molecule

ID:90402

General Information
Structure
MolImage
Molecular Formula
C₈H₈ClNO₃S
Molecular Mass
233.67202
Exact Mass
232.9913418
Charge
0
InChI
InChI=1S/C8H8ClNO3S/c9-6-1-3-7(4-2-6)14(12,13)5-8(10)11/h1-4H,5H2,(H2,10,11)
InChIKey
VWTPVZIHFJROMP-UHFFFAOYSA-N
Canonic Smiles
NC(=O)CS(=O)(=O)c1ccc(cc1)Cl
Isomeric Smiles
S(=O)(=O)(c1ccc(cc1)Cl)CC(=O)N
Calculated Properties
JChem
Acid pKa
9.311585
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.54514045
LogD (pH = 7.4)
0.5399237
Log P
0.5452074
Molar Refractivity
52.5242
Polarizability
21.350773
Polar Surface Area
77.23
Rotatable Bonds
3
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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