ChemSpider 2D Image | 9-(4-Hydroxyphenyl)-5-methyl-2,3,5,7-tetrahydro-6H-dipyrrolo[4,3,2-de:2',3'-h]quinolin-6-one | C19H15N3O2

9-(4-Hydroxyphenyl)-5-methyl-2,3,5,7-tetrahydro-6H-dipyrrolo[4,3,2-de:2',3'-h]quinolin-6-one

  • Molecular FormulaC19H15N3O2
  • Average mass317.341 Da
  • Monoisotopic mass317.116425 Da
  • ChemSpider ID24716259

More details:

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

6H-Dipyrrolo[4,3,2-de:2',3'-h]quinolin-6-one, 2,3,5,7-tetrahydro-9-(4-hydroxyphenyl)-5-methyl- [ACD/Index Name]
9-(4-Hydroxyphenyl)-5-methyl-2,3,5,7-tetrahydro-6H-dipyrrolo[4,3,2-de:2',3'-h]chinolin-6-on [German] [ACD/IUPAC Name]
9-(4-Hydroxyphényl)-5-méthyl-2,3,5,7-tétrahydro-6H-dipyrrolo[4,3,2-de:2',3'-h]quinoléin-6-one [French] [ACD/IUPAC Name]
9-(4-Hydroxyphenyl)-5-methyl-2,3,5,7-tetrahydro-6H-dipyrrolo[4,3,2-de:2',3'-h]quinolin-6-one [ACD/IUPAC Name]
183114-88-7 [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL514900/
tsitsikammamine B

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

Density: 1.5±0.1 g/cm3
Boiling Point: 646.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.7±3.0 kJ/mol
Flash Point: 344.5±31.5 °C
Index of Refraction: 1.791
Molar Refractivity: 88.9±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.54
ACD/LogD (pH 5.5): 2.00
ACD/BCF (pH 5.5): 19.27
ACD/KOC (pH 5.5): 282.84
ACD/LogD (pH 7.4): 2.04
ACD/BCF (pH 7.4): 20.79
ACD/KOC (pH 7.4): 305.12
Polar Surface Area: 70 Å2
Polarizability: 35.3±0.5 10-24cm3
Surface Tension: 63.2±7.0 dyne/cm
Molar Volume: 209.7±7.0 cm3

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