ChemSpider 2D Image | 1,11-Diazatetracyclo[9.6.1.1~4,8~.0~12,17~]nonadeca-4(19),5,7,12,14,16-hexaen-18-one | C17H16N2O

1,11-Diazatetracyclo[9.6.1.14,8.012,17]nonadeca-4(19),5,7,12,14,16-hexaen-18-one

  • Molecular FormulaC17H16N2O
  • Average mass264.322 Da
  • Monoisotopic mass264.126251 Da
  • ChemSpider ID21156777

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1,11-Diazatetracyclo[9.6.1.14,8.012,17]nonadeca-4(19),5,7,12,14,16-hexaen-18-on [German] [ACD/IUPAC Name]
1,11-Diazatetracyclo[9.6.1.14,8.012,17]nonadeca-4(19),5,7,12,14,16-hexaen-18-one [ACD/IUPAC Name]
1,11-Diazatétracyclo[9.6.1.14,8.012,17]nonadéca-4(19),5,7,12,14,16-hexaén-18-one [French] [ACD/IUPAC Name]
1,11-Methano-4,8-metheno-1H-1,11-benzodiazacyclotridecin-16-one, 2,3,9,10-tetrahydro- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 423.9±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.8±3.0 kJ/mol
Flash Point: 190.2±18.3 °C
Index of Refraction: 1.696
Molar Refractivity: 78.4±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.85
ACD/LogD (pH 5.5): 3.36
ACD/BCF (pH 5.5): 211.55
ACD/KOC (pH 5.5): 1607.43
ACD/LogD (pH 7.4): 3.36
ACD/BCF (pH 7.4): 211.56
ACD/KOC (pH 7.4): 1607.51
Polar Surface Area: 24 Å2
Polarizability: 31.1±0.5 10-24cm3
Surface Tension: 62.5±5.0 dyne/cm
Molar Volume: 203.8±5.0 cm3

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