Molecule

ID:91305

General Information
Structure
MolImage
Molecular Formula
C₇H₇ClO₂S
Molecular Mass
190.64728
Exact Mass
189.98552814
Charge
0
InChI
InChI=1S/C7H7ClO2S/c1-11(9,10)7-5-3-2-4-6(7)8/h2-5H,1H3
InChIKey
NXARIPVZOXXAAG-UHFFFAOYSA-N
Canonic Smiles
Clc1ccccc1S(=O)(=O)C
Isomeric Smiles
S(=O)(=O)(c1ccccc1Cl)C
Calculated Properties
JChem
Acid pKa
19.614136
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.4175991
LogD (pH = 7.4)
1.4175991
Log P
1.4175991
Molar Refractivity
44.8664
Polarizability
18.244623
Polar Surface Area
34.14
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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