1-benzoyl-1H-indole

• ChemBase ID: 121531
• Molecular Formular: C15H11NO
• Molecular Mass: 221.25394
• Monoisotopic Mass: 221.08406398
• SMILES: n1(C(=O)c2ccccc2)ccc2c1cccc2
• Canonical SMILES: O=C(n1ccc2c1cccc2)c1ccccc1
• InChI: InChI=1S/C15H11NO/c17-15(13-7-2-1-3-8-13)16-11-10-12-6-4-5-9-14(12)16/h1-11H
• InChIKey: DIQDUFVJZPNLJQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzoyl-1H-indole
• IUPAC Traditional name: 1-benzoylindole
• Synonyms: (1H-indol-1-yl)(phenyl)methanone

Database IDs

• PubChem SID: 162215884
• PubChem CID: 200283

CALCULATED PROPERTIES

• H Donor: 0
• LogD (pH = 5.5): 3.2459915
• LogD (pH = 7.4): 3.2459915
• Log P: 3.2459915
• Molar Refractivity: 67.0853 cm^3
• Polarizability: 27.087437 Å^3
• Polar Surface Area: 22.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 1