Molecule

ID:34711

General Information
Structure
MolImage
Molecular Formula
C₂H₄Cl₂O₂S
Molecular Mass
163.02296
Exact Mass
161.93090573
Charge
0
InChI
InChI=1S/C2H4Cl2O2S/c3-1-2-7(4,5)6/h1-2H2
InChIKey
VHCSBTPOPKFYIU-UHFFFAOYSA-N
Canonic Smiles
ClCCS(=O)(=O)Cl
Isomeric Smiles
S(=O)(=O)(CCCl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.6217018
LogD (pH = 7.4)
0.6217018
Log P
0.6217018
Molar Refractivity
29.5703
Polarizability
12.602846
Polar Surface Area
34.14
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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