Molecule

ID:9750

General Information
Structure
MolImage
Molecular Formula
C₈H₉ClO₂S
Molecular Mass
204.67386
Exact Mass
204.00117821
Charge
0
InChI
InChI=1S/C8H9ClO2S/c1-12(10,11)8-4-2-7(6-9)3-5-8/h2-5H,6H2,1H3
InChIKey
LXPRVXKHIXWBJZ-UHFFFAOYSA-N
Canonic Smiles
ClCc1ccc(cc1)S(=O)(=O)C
Isomeric Smiles
S(=O)(=O)(C)c1ccc(cc1)CCl
Calculated Properties
JChem
Acid pKa
19.698084
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.4007964
LogD (pH = 7.4)
1.4007964
Log P
1.4007964
Molar Refractivity
49.9285
Polarizability
19.998455
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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