Molecule

ID:18840

General Information
Structure
MolImage
Molecular Formula
C₆H₆ClNO₂S
Molecular Mass
191.63534
Exact Mass
190.98077712
Charge
0
InChI
InChI=1S/C6H6ClNO2S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,(H2,8,9,10)
InChIKey
JCCBZCMSYUSCFM-UHFFFAOYSA-N
Canonic Smiles
Clc1ccccc1S(=O)(=O)N
Isomeric Smiles
c1(c(cccc1)Cl)S(=O)(=O)N
Calculated Properties
JChem
Acid pKa
9.137374
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.1832325
LogD (pH = 7.4)
1.1763481
Log P
1.1833212
Molar Refractivity
43.0207
Polarizability
17.582357
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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