Molecule

ID:68397

General Information
Structure
Molecular Formula
C₁₃H₁₀Cl₂N₂O
Molecular Mass
281.1373
Exact Mass
280.01701831
Charge
0
InChI
InChI=1S/C13H10Cl2N2O/c14-11-6-10(7-12(15)17-11)13(18)16-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,16,18)
InChIKey
FMICAMHYUFNJME-UHFFFAOYSA-N
Canonic Smiles
Clc1nc(Cl)cc(c1)C(=O)NCc1ccccc1
Isomeric Smiles
C(=O)(c1cc(nc(c1)Cl)Cl)NCc1ccccc1
Calculated Properties
JChem
Acid pKa
12.5511265
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.2028065
LogD (pH = 7.4)
3.2028039
Log P
3.2028065
Molar Refractivity
74.221
Polarizability
27.598871
Polar Surface Area
41.99
Rotatable Bonds
3
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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