Molecule

ID:110002

General Information
Structure
MolImage
Molecular Formula
C₈H₈Cl₂O₂S
Molecular Mass
239.11892
Exact Mass
237.96220586
Charge
0
InChI
InChI=1S/C8H8Cl2O2S/c9-5-6-13(11,12)8-3-1-7(10)2-4-8/h1-4H,5-6H2
InChIKey
KXQHTLXSDBXWNB-UHFFFAOYSA-N
Canonic Smiles
ClCCS(=O)(=O)c1ccc(cc1)Cl
Isomeric Smiles
ClCCS(=O)(=O)c1ccc(Cl)cc1
Calculated Properties
JChem
Acid pKa
18.904093
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.2342782
LogD (pH = 7.4)
2.2342782
Log P
2.2342782
Molar Refractivity
53.7131
Polarizability
21.94194
Polar Surface Area
34.14
Rotatable Bonds
3
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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