ChemSpider 2D Image | (13aS,13bR)-2,3,5,6,12,13,13a,13b-Octahydro-1H-indolo[3,2,1-de]pyrido[3,2,1-ij][1,5]naphthyridin-12-ol | C17H20N2O

(13aS,13bR)-2,3,5,6,12,13,13a,13b-Octahydro-1H-indolo[3,2,1-de]pyrido[3,2,1-ij][1,5]naphthyridin-12-ol

  • Molecular FormulaC17H20N2O
  • Average mass268.353 Da
  • Monoisotopic mass268.157562 Da
  • ChemSpider ID78075834

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(13aS,13bR)-2,3,5,6,12,13,13a,13b-Octahydro-1H-indolo[3,2,1-de]pyrido[3,2,1-ij][1,5]naphthyridin-12-ol [German] [ACD/IUPAC Name]
(13aS,13bR)-2,3,5,6,12,13,13a,13b-Octahydro-1H-indolo[3,2,1-de]pyrido[3,2,1-ij][1,5]naphthyridin-12-ol [ACD/IUPAC Name]
(13aS,13bR)-2,3,5,6,12,13,13a,13b-Octahydro-1H-indolo[3,2,1-de]pyrido[3,2,1-ij][1,5]naphtyridin-12-ol [French] [ACD/IUPAC Name]
1H-Indolo[3,2,1-de]pyrido[3,2,1-ij][1,5]naphthyridin-12-ol, 2,3,5,6,12,13,13a,13b-octahydro-, (13aS,13bR)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 482.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.7±3.0 kJ/mol
Flash Point: 245.6±28.7 °C
Index of Refraction: 1.784
Molar Refractivity: 76.9±0.5 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.09
ACD/LogD (pH 5.5): -0.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.21
ACD/BCF (pH 7.4): 2.22
ACD/KOC (pH 7.4): 24.19
Polar Surface Area: 28 Å2
Polarizability: 30.5±0.5 10-24cm3
Surface Tension: 61.2±7.0 dyne/cm
Molar Volume: 182.6±7.0 cm3

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