10-methoxy-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2(7),3,5,9,11,13-heptaen-8-one

• ChemBase ID: 190135
• Molecular Formular: C15H9NO3
• Molecular Mass: 251.23686
• Monoisotopic Mass: 251.05824315
• SMILES: c12c3C(=O)c4c(c1onc2ccc3OC)cccc4
• Canonical SMILES: COc1ccc2c3c1C(=O)c1ccccc1c3on2
• InChI: InChI=1S/C15H9NO3/c1-18-11-7-6-10-12-13(11)14(17)8-4-2-3-5-9(8)15(12)19-16-10/h2-7H,1H3
• InChIKey: FCRLYYQMRWSKIT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 10-methoxy-15-oxa-14-azatetracyclo[7.6.1.0^2,^7.0^1^3,^1^6]hexadeca-1(16),2(7),3,5,9,11,13-heptaen-8-one
• IUPAC Traditional name: 10-methoxy-15-oxa-14-azatetracyclo[7.6.1.0^2,^7.0^1^3,^1^6]hexadeca-1(16),2(7),3,5,9,11,13-heptaen-8-one

Database IDs

• PubChem SID: 164246045
• PubChem CID: 774975

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.6087804
• LogD (pH = 7.4): 2.6087806
• Log P: 2.6087806
• Molar Refractivity: 69.5726 cm^3
• Polarizability: 28.666212 Å^3
• Polar Surface Area: 52.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds