Molecule

ID:136199

General Information
Structure
Molecular Formula
CH₃ClO₂S
Molecular Mass
115.54397484
Exact Mass
114.95758285
Charge
0
InChI
InChI=1S/CH3ClO2S/c1-5(2,3)4/h1H3/i1+1
InChIKey
QARBMVPHQWIHKH-OUBTZVSYSA-N
Canonic Smiles
[13CH3]S(=O)(=O)Cl
Isomeric Smiles
[13CH3]S(=O)(=O)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.19497725
LogD (pH = 7.4)
-0.19497725
Log P
-0.19497725
Molar Refractivity
20.1032
Polarizability
8.86013
Polar Surface Area
34.14
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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