Molecule

ID:75227

General Information
Structure
MolImage
Molecular Formula
C₁₃H₈Cl₄N₂O
Molecular Mass
350.02742
Exact Mass
347.93907361
Charge
0
InChI
InChI=1S/C13H8Cl4N2O/c14-9-3-1-7(5-11(9)16)18-13(20)19-8-2-4-10(15)12(17)6-8/h1-6H,(H2,18,19,20)
InChIKey
ZDPIZPXVHVYTOK-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1ccc(c(c1)Cl)Cl)Nc1ccc(c(c1)Cl)Cl
Isomeric Smiles
Clc1c(ccc(c1)NC(=O)Nc1cc(c(cc1)Cl)Cl)Cl
Calculated Properties
JChem
Acid pKa
11.345245
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
5.5348334
LogD (pH = 7.4)
5.534787
Log P
5.534834
Molar Refractivity
85.272
Polarizability
31.75255
Polar Surface Area
41.13
Rotatable Bonds
2
Lipinski's Rule of Five
false
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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