ChemSpider 2D Image | TCMDC-136129 | C18H11F3N2O2

TCMDC-136129

  • Molecular FormulaC18H11F3N2O2
  • Average mass344.287 Da
  • Monoisotopic mass344.077271 Da
  • ChemSpider ID24576124

More details:

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

3-Quinolinecarbonitrile, 4-hydroxy-2-methyl-6-[4-(trifluoromethoxy)phenyl]- [ACD/Index Name]
4-Hydroxy-2-methyl-6-[4-(trifluormethoxy)phenyl]-3-chinolincarbonitril [German] [ACD/IUPAC Name]
4-Hydroxy-2-méthyl-6-[4-(trifluorométhoxy)phényl]-3-quinoléinecarbonitrile [French] [ACD/IUPAC Name]
4-Hydroxy-2-methyl-6-[4-(trifluoromethoxy)phenyl]-3-quinolinecarbonitrile [ACD/IUPAC Name]
4-Hydroxy-2-methyl-6-[4-(trifluoromethoxy)phenyl]quinoline-3-carbonitrile
TCMDC-136129
  • Miscellaneous

    • Bio Activity:

      XC50_3D7 (uM) (Plasmodium Falciparum, Malaria): 0.020669401 GlaxoSmithKline Malaria Set

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

Density: 1.5±0.1 g/cm3
Boiling Point: 472.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.4±3.0 kJ/mol
Flash Point: 239.8±28.7 °C
Index of Refraction: 1.630
Molar Refractivity: 84.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.74
ACD/LogD (pH 5.5): 2.03
ACD/BCF (pH 5.5): 5.32
ACD/KOC (pH 5.5): 23.18
ACD/LogD (pH 7.4): 1.95
ACD/BCF (pH 7.4): 4.40
ACD/KOC (pH 7.4): 19.17
Polar Surface Area: 66 Å2
Polarizability: 33.4±0.5 10-24cm3
Surface Tension: 60.8±5.0 dyne/cm
Molar Volume: 236.9±5.0 cm3

Click to predict properties on the Chemicalize site


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