ChemSpider 2D Image | QUPIC | C23H22N2O2

QUPIC

  • Molecular FormulaC23H22N2O2
  • Average mass358.433 Da
  • Monoisotopic mass358.168121 Da
  • ChemSpider ID29339966

More details:






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

1400742-17-7 [RN]
1H-Indole-3-carboxylic acid, 1-pentyl-, 8-quinolinyl ester [ACD/Index Name]
1-Pentyl-1H-indole-3-carboxylate de 8-quinoléinyle [French] [ACD/IUPAC Name]
8-Chinolinyl-1-pentyl-1H-indol-3-carboxylat [German] [ACD/IUPAC Name]
8-Quinolinyl 1-pentyl-1H-indole-3-carboxylate [ACD/IUPAC Name]
PB-22
QM6J8F29FE
Quinolin-8-yl 1-pentyl-1H-indole-3-carboxylate
QUPIC [Wiki]
[1400742-17-7]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

PB 22 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 556.8±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.8±3.0 kJ/mol
Flash Point: 290.5±23.2 °C
Index of Refraction: 1.617
Molar Refractivity: 107.4±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.74
ACD/LogD (pH 5.5): 6.18
ACD/BCF (pH 5.5): 29101.53
ACD/KOC (pH 5.5): 54549.79
ACD/LogD (pH 7.4): 6.18
ACD/BCF (pH 7.4): 29116.14
ACD/KOC (pH 7.4): 54577.16
Polar Surface Area: 44 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 44.8±7.0 dyne/cm
Molar Volume: 307.1±7.0 cm3

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