Molecule

ID:121943

General Information
Structure
MolImage
Molecular Formula
C₄H₆Cl₂O₂S
Molecular Mass
189.06024
Exact Mass
187.94655579
Charge
0
InChI
InChI=1S/C4H6Cl2O2S/c5-3-1-9(7,8)2-4(3)6/h3-4H,1-2H2
InChIKey
JCUQWSIALJCIEE-UHFFFAOYSA-N
Canonic Smiles
ClC1CS(=O)(=O)CC1Cl
Isomeric Smiles
S1(=O)(=O)CC(C(C1)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.28039557
LogD (pH = 7.4)
0.28039557
Log P
0.28039557
Molar Refractivity
35.5978
Polarizability
15.448558
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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