ChemSpider 2D Image | CSID:21431237 | C21H16N4O2

  • Molecular FormulaC21H16N4O2
  • Average mass356.377 Da
  • Monoisotopic mass356.127319 Da
  • ChemSpider ID21431237

  • 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: 1.6±0.1 g/cm3
Boiling Point: 646.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.2±3.0 kJ/mol
Flash Point: 344.8±34.3 °C
Index of Refraction: 1.822
Molar Refractivity: 99.7±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.52
ACD/LogD (pH 5.5): 1.71
ACD/BCF (pH 5.5): 11.62
ACD/KOC (pH 5.5): 199.43
ACD/LogD (pH 7.4): 1.54
ACD/BCF (pH 7.4): 7.84
ACD/KOC (pH 7.4): 134.51
Polar Surface Area: 78 Å2
Polarizability: 39.5±0.5 10-24cm3
Surface Tension: 70.7±7.0 dyne/cm
Molar Volume: 228.8±7.0 cm3

Click to predict properties on the Chemicalize site


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