Molecule

ID:71488

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂N₂O₂
Molecular Mass
252.26798
Exact Mass
252.08987763
Charge
0
InChI
InChI=1S/C15H12N2O2/c18-14-12-8-4-5-9-13(12)15(19)17(14)10-16-11-6-2-1-3-7-11/h1-9,16H,10H2
InChIKey
YQBGAGYLFPRNEM-UHFFFAOYSA-N
Canonic Smiles
O=C1N(CNc2ccccc2)C(=O)c2c1cccc2
Isomeric Smiles
c1ccc(cc1)NCN1C(=O)c2c(C1=O)cccc2
Calculated Properties
JChem
Acid pKa
17.491493
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.3008435
LogD (pH = 7.4)
2.3016882
Log P
2.3016992
Molar Refractivity
73.3038
Polarizability
26.70328
Polar Surface Area
49.41
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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