Molecule

ID:87189

General Information
Structure
MolImage
Molecular Formula
C₆H₆ClNO₂S
Molecular Mass
191.63534
Exact Mass
190.98077712
Charge
0
InChI
InChI=1S/C6H6ClNO2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H2,8,9,10)
InChIKey
HHHDJHHNEURCNV-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)S(=O)(=O)N
Isomeric Smiles
Clc1ccc(cc1)S(=O)(=O)N
Calculated Properties
JChem
Acid pKa
9.684289
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.1832961
LogD (pH = 7.4)
1.1813276
Log P
1.1833212
Molar Refractivity
43.0207
Polarizability
17.561089
Polar Surface Area
60.16
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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