Molecule

ID:19082

General Information
Structure
MolImage
Molecular Formula
C₈H₉ClO₂S
Molecular Mass
204.67386
Exact Mass
204.00117821
Charge
0
InChI
InChI=1S/C8H9ClO2S/c1-7-3-2-4-8(5-7)6-12(9,10)11/h2-5H,6H2,1H3
InChIKey
ICTNKQWSHVQWGK-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(c1)CS(=O)(=O)Cl
Isomeric Smiles
S(=O)(=O)(Cc1cc(ccc1)C)Cl
Calculated Properties
JChem
Acid pKa
19.332785
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.1951065
LogD (pH = 7.4)
2.1951065
Log P
2.1951065
Molar Refractivity
49.8808
Polarizability
20.023508
Polar Surface Area
34.14
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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