11H-indeno[1,2-b]quinoline

• ChemBase ID: 180658
• Molecular Formular: C16H11N
• Molecular Mass: 217.26524
• Monoisotopic Mass: 217.08914936
• SMILES: c12nc3c(cc1Cc1c2cccc1)cccc3
• Canonical SMILES: c1ccc2c(c1)Cc1c2nc2c(c1)cccc2
• InChI: InChI=1S/C16H11N/c1-3-7-14-11(5-1)9-13-10-12-6-2-4-8-15(12)17-16(13)14/h1-8,10H,9H2
• InChIKey: KUZOQBPSADEASZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 11H-indeno[1,2-b]quinoline
• IUPAC Traditional name: 11H-indeno[1,2-b]quinoline

Database IDs

• PubChem SID: 164236568
• PubChem CID: 67485

CALCULATED PROPERTIES

• Acid pKa: 12.73204
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.2751374
• LogD (pH = 7.4): 4.2824287
• Log P: 4.2825246
• Molar Refractivity: 68.4227 cm^3
• Polarizability: 29.21823 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds