Molecule

ID:75228

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀Cl₂N₂O
Molecular Mass
281.1373
Exact Mass
280.01701831
Charge
0
InChI
InChI=1S/C13H10Cl2N2O/c14-9-1-5-11(6-2-9)16-13(18)17-12-7-3-10(15)4-8-12/h1-8H,(H2,16,17,18)
InChIKey
ZNQCSLYENQIUMJ-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1ccc(cc1)Cl)Nc1ccc(cc1)Cl
Isomeric Smiles
Clc1ccc(cc1)NC(=O)Nc1ccc(cc1)Cl
Calculated Properties
JChem
Acid pKa
11.510273
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
4.326744
LogD (pH = 7.4)
4.3267126
Log P
4.3267446
Molar Refractivity
75.6624
Polarizability
27.831932
Polar Surface Area
41.13
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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