Molecule

ID:70358

General Information
Structure
MolImage
Molecular Formula
C₆H₅ClO₃S
Molecular Mass
192.6201
Exact Mass
191.9647927
Charge
0
InChI
InChI=1S/C6H5ClO3S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H,8,9,10)
InChIKey
RJWBTWIBUIGANW-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)S(=O)(=O)O
Isomeric Smiles
c1(ccc(cc1)Cl)S(=O)(=O)O
Calculated Properties
JChem
Acid pKa
-2.9399114
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.6182012
LogD (pH = 7.4)
-0.61820155
Log P
1.7581972
Molar Refractivity
41.4853
Polarizability
16.913376
Polar Surface Area
54.37
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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