Molecule

ID:22797

General Information
Structure
Molecular Formula
C₁₄H₁₄N₂O
Molecular Mass
226.27376
Exact Mass
226.11061308
Charge
0
InChI
InChI=1S/C14H14N2O/c1-10-2-4-11(5-3-10)14(17)16-13-8-6-12(15)7-9-13/h2-9H,15H2,1H3,(H,16,17)
InChIKey
JDHKVOPFSRGZMT-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)C(=O)Nc1ccc(cc1)N
Isomeric Smiles
C(=O)(Nc1ccc(N)cc1)c1ccc(cc1)C
Calculated Properties
JChem
Acid pKa
12.814421
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.7390842
LogD (pH = 7.4)
2.7494917
Log P
2.7496262
Molar Refractivity
71.3331
Polarizability
25.848396
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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