11-chloro-12H-10-oxa-5-azatetraphen-12-one

• ChemBase ID: 191886
• Molecular Formular: C16H8ClNO2
• Molecular Mass: 281.69322
• Monoisotopic Mass: 281.02435618
• SMILES: c12c(nc3c(o2)cccc3)c2c(c(=O)c1Cl)cccc2
• Canonical SMILES: O=c1c(Cl)c2oc3ccccc3nc2c2c1cccc2
• InChI: InChI=1S/C16H8ClNO2/c17-13-15(19)10-6-2-1-5-9(10)14-16(13)20-12-8-4-3-7-11(12)18-14/h1-8H
• InChIKey: AGYLQHFTGWKECH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 11-chloro-12H-10-oxa-5-azatetraphen-12-one
• IUPAC Traditional name: 11-chloro-10-oxa-5-azatetraphen-12-one

Database IDs

• PubChem SID: 164247796
• PubChem CID: 2817441

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.6730778
• LogD (pH = 7.4): 3.6730778
• Log P: 3.6730778
• Molar Refractivity: 79.8894 cm^3
• Polarizability: 28.849958 Å^3
• Polar Surface Area: 38.66 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds