ChemSpider 2D Image | (2Z,3E)-2-{[1-(4-Chlorobenzyl)-1H-indol-3-yl]methylene}-N-hydroxyquinuclidin-3-imine | C23H22ClN3O

(2Z,3E)-2-{[1-(4-Chlorobenzyl)-1H-indol-3-yl]methylene}-N-hydroxyquinuclidin-3-imine

  • Molecular FormulaC23H22ClN3O
  • Average mass391.893 Da
  • Monoisotopic mass391.145142 Da
  • ChemSpider ID29405443

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z,3E)-2-{[1-(4-Chlorbenzyl)-1H-indol-3-yl]methylen}-N-hydroxychinuclidin-3-imin [German] [ACD/IUPAC Name]
(2Z,3E)-2-{[1-(4-Chlorobenzyl)-1H-indol-3-yl]methylene}-N-hydroxyquinuclidin-3-imine [ACD/IUPAC Name]
(2Z,3E)-2-{[1-(4-Chlorobenzyl)-1H-indol-3-yl]méthylène}-N-hydroxyquinuclidin-3-imine [French] [ACD/IUPAC Name]
1-Azabicyclo[2.2.2]octan-3-one, 2-[[1-[(4-chlorophenyl)methyl]-1H-indol-3-yl]methylene]-, oxime, (2Z,3E)- [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: 644.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.9±3.0 kJ/mol
Flash Point: 343.5±31.5 °C
Index of Refraction: 1.692
Molar Refractivity: 112.2±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.77
ACD/LogD (pH 5.5): 5.22
ACD/BCF (pH 5.5): 5404.68
ACD/KOC (pH 5.5): 16120.83
ACD/LogD (pH 7.4): 5.24
ACD/BCF (pH 7.4): 5675.86
ACD/KOC (pH 7.4): 16929.70
Polar Surface Area: 41 Å2
Polarizability: 44.5±0.5 10-24cm3
Surface Tension: 53.1±7.0 dyne/cm
Molar Volume: 293.0±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement