11,16-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,15-pentaene-2,9-dione

• ChemBase ID: 186282
• Molecular Formular: C14H10N2O2
• Molecular Mass: 238.2414
• Monoisotopic Mass: 238.07422757
• SMILES: c12c(C(=O)c3c(C2=O)cccc3)n2c(n1)CCC2
• Canonical SMILES: O=C1c2ccccc2C(=O)c2c1n1CCCc1n2
• InChI: InChI=1S/C14H10N2O2/c17-13-8-4-1-2-5-9(8)14(18)12-11(13)15-10-6-3-7-16(10)12/h1-2,4-5H,3,6-7H2
• InChIKey: ZKGLWEWDZDOSQK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 11,16-diazatetracyclo[8.6.0.0^3,^8.0^1^1,^1^5]hexadeca-1(10),3(8),4,6,15-pentaene-2,9-dione
• IUPAC Traditional name: 11,16-diazatetracyclo[8.6.0.0^3,^8.0^1^1,^1^5]hexadeca-1(10),3(8),4,6,15-pentaene-2,9-dione

Database IDs

• PubChem SID: 164242192
• PubChem CID: 872692

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.6757057
• LogD (pH = 7.4): 1.679779
• Log P: 1.6798313
• Molar Refractivity: 65.844 cm^3
• Polarizability: 24.77244 Å^3
• Polar Surface Area: 51.96 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds