Molecule

ID:73939

General Information
Structure
MolImage
Molecular Formula
C₄H₅ClO₂S
Molecular Mass
152.5993
Exact Mass
151.96987808
Charge
0
InChI
InChI=1S/C4H5ClO2S/c5-4-1-2-8(6,7)3-4/h1H,2-3H2
InChIKey
ZYILUGIWXXXVRM-UHFFFAOYSA-N
Canonic Smiles
ClC1=CCS(=O)(=O)C1
Isomeric Smiles
S1(=O)(=O)CC=C(C1)Cl
Calculated Properties
JChem
Acid pKa
14.519715
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.4041395
LogD (pH = 7.4)
-0.40413952
Log P
-0.4041395
Molar Refractivity
33.0192
Polarizability
13.264762
Polar Surface Area
34.14
Rotatable Bonds
0
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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