Molecule

ID:109701

General Information
Structure
MolImage
Molecular Formula
C₂H₅ClO₃S
Molecular Mass
144.5773
Exact Mass
143.9647927
Charge
0
InChI
InChI=1S/C2H5ClO3S/c3-1-2-7(4,5)6/h1-2H2,(H,4,5,6)
InChIKey
FXKMTSIKHBYZSZ-UHFFFAOYSA-N
Canonic Smiles
ClCCS(=O)(=O)O
Isomeric Smiles
OS(=O)(=O)CCCl
Calculated Properties
JChem
Acid pKa
-1.8801492
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.520089
LogD (pH = 7.4)
-2.5200932
Log P
-0.1436945
Molar Refractivity
25.9986
Polarizability
11.163255
Polar Surface Area
54.37
Rotatable Bonds
2
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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