Molecule

ID:54196

General Information
Structure
MolImage
Molecular Formula
C₃H₈ClNO₂S
Molecular Mass
157.61912
Exact Mass
156.99642718
Charge
0
InChI
InChI=1S/C3H8ClNO2S/c1-3(2)5-8(4,6)7/h3,5H,1-2H3
InChIKey
AGRDPCWQGGNEQL-UHFFFAOYSA-N
Canonic Smiles
CC(NS(=O)(=O)Cl)C
Isomeric Smiles
C(NS(=O)(=O)Cl)(C)C
Calculated Properties
JChem
Acid pKa
9.575941
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.3459951
LogD (pH = 7.4)
0.34347087
Log P
0.34602737
Molar Refractivity
32.942
Polarizability
13.625355
Polar Surface Area
46.17
Rotatable Bonds
1
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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