Molecule

ID:15641

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₂N₂O₂
Molecular Mass
276.28938
Exact Mass
276.08987763
Charge
0
InChI
InChI=1S/C17H12N2O2/c18-10-12-5-7-13(8-6-12)11-19-15-4-2-1-3-14(15)9-16(19)17(20)21/h1-9H,11H2,(H,20,21)
InChIKey
LRYAZCDJSGRWQZ-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccc(cc1)Cn1c(cc2c1cccc2)C(=O)O
Isomeric Smiles
c1ccc2c(c1)n(c(c2)C(=O)O)Cc1ccc(cc1)C#N
Calculated Properties
JChem
Acid pKa
3.381638
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.3487152
LogD (pH = 7.4)
0.04635323
Log P
3.4538372
Molar Refractivity
79.5091
Polarizability
31.060108
Polar Surface Area
66.02
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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