ChemSpider 2D Image | CSID:21431243 | C20H14N4O3

  • Molecular FormulaC20H14N4O3
  • Average mass358.350 Da
  • Monoisotopic mass358.106598 Da
  • ChemSpider ID21431243

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

Density: 1.7±0.1 g/cm3
Boiling Point: 717.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.0±3.0 kJ/mol
Flash Point: 387.6±35.7 °C
Index of Refraction: 1.900
Molar Refractivity: 95.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.80
ACD/LogD (pH 5.5): 0.79
ACD/BCF (pH 5.5): 2.26
ACD/KOC (pH 5.5): 59.76
ACD/LogD (pH 7.4): 0.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.84
Polar Surface Area: 98 Å2
Polarizability: 37.9±0.5 10-24cm3
Surface Tension: 84.6±7.0 dyne/cm
Molar Volume: 205.5±7.0 cm3

Click to predict properties on the Chemicalize site


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