Molecule

ID:58682

General Information
Structure
MolImage
Molecular Formula
C₇H₆Cl₂O₂S
Molecular Mass
225.09234
Exact Mass
223.94655579
Charge
0
InChI
InChI=1S/C7H6Cl2O2S/c1-5-4-6(8)2-3-7(5)12(9,10)11/h2-4H,1H3
InChIKey
DTMRZJATPXTPSM-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)C)S(=O)(=O)Cl
Isomeric Smiles
c1(cc(c(cc1)S(=O)(=O)Cl)C)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.037015
LogD (pH = 7.4)
3.037015
Log P
3.037015
Molar Refractivity
50.0982
Polarizability
20.109116
Polar Surface Area
34.14
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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