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ChemSpider 2D Image | 7-ethynyl-1-methyl-5-(2-pyridyl)-3H-1,4-benzodiazepin-2-one | C17H13N3O

7-ethynyl-1-methyl-5-(2-pyridyl)-3H-1,4-benzodiazepin-2-one

  • Molecular FormulaC17H13N3O
  • Average mass275.305 Da
  • Monoisotopic mass275.105865 Da
  • ChemSpider ID19871710

More details:

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

Density: 1.2±0.0 g/cm3
Boiling Point: 522.9±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 79.7±0.0 kJ/mol
Flash Point: 270.1±0.0 °C
Index of Refraction: 1.626
Molar Refractivity: 83.8±0.0 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.20
ACD/LogD (pH 5.5): 2.20
ACD/BCF (pH 5.5): 27.88
ACD/KOC (pH 5.5): 376.79
ACD/LogD (pH 7.4): 2.20
ACD/BCF (pH 7.4): 27.90
ACD/KOC (pH 7.4): 376.98
Polar Surface Area: 46 Å2
Polarizability: 33.2±0.0 10-24cm3
Surface Tension: 44.4±0.0 dyne/cm
Molar Volume: 236.5±0.0 cm3

Click to predict properties on the Chemicalize site


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