Molecule

ID:106936

General Information
Structure
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/t3-,4-/m0/s1
InChIKey
JCUQWSIALJCIEE-IMJSIDKUSA-N
Canonic Smiles
Cl[C@H]1CS(=O)(=O)C[C@@H]1Cl
Isomeric Smiles
Cl[C@H]1CS(=O)(=O)C[C@@H]1Cl
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
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation