Molecule

ID:36235

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₄N₂O
Molecular Mass
262.30586
Exact Mass
262.11061308
Charge
0
InChI
InChI=1S/C17H14N2O/c18-14-8-5-12(6-9-14)17(20)10-7-13-11-19-16-4-2-1-3-15(13)16/h1-11,19H,18H2/b10-7+
InChIKey
JPEHXBDIMAIPEA-JXMROGBWSA-N
Canonic Smiles
Nc1ccc(cc1)C(=O)/C=C/c1c[nH]c2c1cccc2
Isomeric Smiles
[nH]1cc(/C=C/C(=O)c2ccc(N)cc2)c2c1cccc2
Calculated Properties
JChem
Acid pKa
16.129274
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.1581144
LogD (pH = 7.4)
3.1601355
Log P
3.1601613
Molar Refractivity
82.6639
Polarizability
31.755919
Polar Surface Area
58.88
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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