9-hydroxy-11-oxo-N-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide

• ChemBase ID: 190815
• Molecular Formular: C18H14N2O3
• Molecular Mass: 306.31536
• Monoisotopic Mass: 306.10044232
• SMILES: c1(c(=O)n2c3c(c1O)cccc3CC2)C(=O)Nc1ccccc1
• Canonical SMILES: O=C(c1c(O)c2cccc3c2n(c1=O)CC3)Nc1ccccc1
• InChI: InChI=1S/C18H14N2O3/c21-16-13-8-4-5-11-9-10-20(15(11)13)18(23)14(16)17(22)19-12-6-2-1-3-7-12/h1-8,21H,9-10H2,(H,19,22)
• InChIKey: QGRHKOUWUUNPBO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-hydroxy-11-oxo-N-phenyl-1-azatricyclo[6.3.1.0^4,^1^2]dodeca-4(12),5,7,9-tetraene-10-carboxamide
• IUPAC Traditional name: 9-hydroxy-11-oxo-N-phenyl-1-azatricyclo[6.3.1.0^4,^1^2]dodeca-4(12),5,7,9-tetraene-10-carboxamide

Database IDs

• PubChem SID: 164246725
• PubChem CID: 54676960

CALCULATED PROPERTIES

• Acid pKa: 5.91275
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.6273954
• LogD (pH = 7.4): 0.28724092
• Log P: 1.7690951
• Molar Refractivity: 87.9486 cm^3
• Polarizability: 32.347027 Å^3
• Polar Surface Area: 69.64 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds