ChemSpider 2D Image | CSID:21431236 | C21H16N4O3

  • Molecular FormulaC21H16N4O3
  • Average mass372.377 Da
  • Monoisotopic mass372.122253 Da
  • ChemSpider ID21431236

  • 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: 696.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.1±3.0 kJ/mol
Flash Point: 375.0±34.3 °C
Index of Refraction: 1.845
Molar Refractivity: 100.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.28
ACD/LogD (pH 5.5): 1.28
ACD/BCF (pH 5.5): 5.41
ACD/KOC (pH 5.5): 114.45
ACD/LogD (pH 7.4): 1.02
ACD/BCF (pH 7.4): 3.03
ACD/KOC (pH 7.4): 63.99
Polar Surface Area: 98 Å2
Polarizability: 39.9±0.5 10-24cm3
Surface Tension: 76.8±7.0 dyne/cm
Molar Volume: 226.0±7.0 cm3

Click to predict properties on the Chemicalize site


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