Molecule
ID:81058
General Information
Molecular Formula
C₁₇H₁₄N₂O
Molecular Mass
262.30586
Exact Mass
262.11061308
Charge
0
InChI
InChI=1S/C17H14N2O/c18-19-16(14-9-5-2-6-10-14)11-15(12-17(19)20)13-7-3-1-4-8-13/h1-12H,18H2
InChIKey
KSPKRQXZWKVDKQ-UHFFFAOYSA-N
Canonic Smiles
Nn1c(=O)cc(cc1c1ccccc1)c1ccccc1
Isomeric Smiles
n1(c(cc(cc1=O)c1ccccc1)c1ccccc1)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.5316355
LogD (pH = 7.4)
2.534157
Log P
2.5341892
Molar Refractivity
82.5895
Polarizability
30.730902
Polar Surface Area
46.33
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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