Molecule

ID:39960

General Information
Structure
MolImage
Molecular Formula
C₈H₆Cl₂N₂O₂
Molecular Mass
233.05144
Exact Mass
231.9806328
Charge
0
InChI
InChI=1S/C8H6Cl2N2O2/c9-4-1-2-6(5(10)3-4)12-8(14)7(11)13/h1-3H,(H2,11,13)(H,12,14)
InChIKey
QFMMVGFIMJWMIN-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)Cl)NC(=O)C(=O)N
Isomeric Smiles
C(=O)(Nc1c(cc(cc1)Cl)Cl)C(=O)N
Calculated Properties
JChem
Acid pKa
10.389679
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.5716941
LogD (pH = 7.4)
1.5714612
Log P
1.5716971
Molar Refractivity
54.1477
Polarizability
20.337605
Polar Surface Area
72.19
Rotatable Bonds
2
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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