ChemSpider 2D Image | CSID:21431242 | C23H19N5O3

  • Molecular FormulaC23H19N5O3
  • Average mass413.429 Da
  • Monoisotopic mass413.148804 Da
  • ChemSpider ID21431242

  • defined stereocentres - 3 of 4 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: 730.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.9±3.0 kJ/mol
Flash Point: 395.6±35.7 °C
Index of Refraction: 1.893
Molar Refractivity: 111.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.03
ACD/LogD (pH 5.5): 0.72
ACD/BCF (pH 5.5): 1.90
ACD/KOC (pH 5.5): 49.95
ACD/LogD (pH 7.4): 0.71
ACD/BCF (pH 7.4): 1.89
ACD/KOC (pH 7.4): 49.81
Polar Surface Area: 98 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 83.0±7.0 dyne/cm
Molar Volume: 240.4±7.0 cm3

Click to predict properties on the Chemicalize site


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