Molecule

ID:19081

General Information
Structure
Molecular Formula
C₇H₆Cl₂O₂S
Molecular Mass
225.09234
Exact Mass
223.94655579
Charge
0
InChI
InChI=1S/C7H6Cl2O2S/c8-7-4-2-1-3-6(7)5-12(9,10)11/h1-4H,5H2
InChIKey
CHPZYFXSICSCNY-UHFFFAOYSA-N
Canonic Smiles
Clc1ccccc1CS(=O)(=O)Cl
Isomeric Smiles
S(=O)(=O)(Cc1c(Cl)cccc1)Cl
Calculated Properties
JChem
Acid pKa
17.985596
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.2857296
LogD (pH = 7.4)
2.2857296
Log P
2.2857296
Molar Refractivity
49.6444
Polarizability
20.210749
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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