Molecule

ID:7945

General Information
Structure
MolImage
Molecular Formula
C₆H₄Cl₂O₂S
Molecular Mass
211.06576
Exact Mass
209.93090573
Charge
0
InChI
InChI=1S/C6H4Cl2O2S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H
InChIKey
KMVZDSQHLDGKGV-UHFFFAOYSA-N
Canonic Smiles
Clc1ccccc1S(=O)(=O)Cl
Isomeric Smiles
S(=O)(=O)(c1c(Cl)cccc1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.5235934
LogD (pH = 7.4)
2.5235934
Log P
2.5235934
Molar Refractivity
45.057
Polarizability
18.38355
Polar Surface Area
34.14
Rotatable Bonds
1
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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