Molecule

ID:109184

General Information
Structure
MolImage
Molecular Formula
C₁₂H₉Cl₂NO₄S₂
Molecular Mass
366.24016
Exact Mass
364.93500513
Charge
0
InChI
InChI=1S/C12H9Cl2NO4S2/c13-9-1-5-11(6-2-9)20(16,17)15-21(18,19)12-7-3-10(14)4-8-12/h1-8,15H
InChIKey
ISLGMFCNZJGDTA-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)S(=O)(=O)NS(=O)(=O)c1ccc(cc1)Cl
Isomeric Smiles
Clc1ccc(cc1)S(=O)(=O)NS(=O)(=O)c1ccc(Cl)cc1
Calculated Properties
JChem
Acid pKa
1.7834928
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
4.293524
LogD (pH = 7.4)
4.293596
Log P
3.385539
Molar Refractivity
81.1414
Polarizability
33.250984
Polar Surface Area
80.31
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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