Molecule

ID:23167

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀Cl₂N₂O
Molecular Mass
281.1373
Exact Mass
280.01701831
Charge
0
InChI
InChI=1S/C13H10Cl2N2O/c14-9-3-1-2-8(6-9)13(18)17-10-4-5-11(15)12(16)7-10/h1-7H,16H2,(H,17,18)
InChIKey
SHAQDYYAQVARDG-UHFFFAOYSA-N
Canonic Smiles
Clc1cccc(c1)C(=O)Nc1ccc(c(c1)N)Cl
Isomeric Smiles
C(=O)(Nc1cc(c(cc1)Cl)N)c1cc(Cl)ccc1
Calculated Properties
JChem
Acid pKa
12.380303
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.4440675
LogD (pH = 7.4)
3.4442868
Log P
3.444294
Molar Refractivity
75.9015
Polarizability
27.833237
Polar Surface Area
55.12
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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