Molecule

ID:57490

General Information
Structure
MolImage
Molecular Formula
C₇H₈ClNO₂S
Molecular Mass
205.66192
Exact Mass
204.99642718
Charge
0
InChI
InChI=1S/C7H8ClNO2S/c1-12(10,11)5-6-2-3-7(8)9-4-6/h2-4H,5H2,1H3
InChIKey
IRDBHHYEFJTWNN-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cn1)CS(=O)(=O)C
Isomeric Smiles
S(=O)(=O)(Cc1cnc(Cl)cc1)C
Calculated Properties
JChem
Acid pKa
17.745192
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.18223165
LogD (pH = 7.4)
0.18223992
Log P
0.18224002
Molar Refractivity
48.7718
Polarizability
19.288654
Polar Surface Area
47.03
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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