Deprecated ChemSpider Record

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ChemSpider 2D Image | 8-ethynyl-6-(2-fluorophenyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4H-imidazo[1,5-a][1,4]benzodiazepine | C22H14FN5O


  • Molecular FormulaC22H14FN5O
  • Average mass383.378 Da
  • Monoisotopic mass383.118225 Da
  • ChemSpider ID19871737

More details:

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

Density: 1.4±0.0 g/cm3
Boiling Point: 601.0±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 86.2±0.0 kJ/mol
Flash Point: 317.3±0.0 °C
Index of Refraction: 1.696
Molar Refractivity: 108.3±0.0 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.25
ACD/LogD (pH 5.5): 3.25
ACD/BCF (pH 5.5): 173.83
ACD/KOC (pH 5.5): 1396.54
ACD/LogD (pH 7.4): 3.25
ACD/BCF (pH 7.4): 173.89
ACD/KOC (pH 7.4): 1397.02
Polar Surface Area: 69 Å2
Polarizability: 42.9±0.0 10-24cm3
Surface Tension: 49.8±0.0 dyne/cm
Molar Volume: 281.3±0.0 cm3

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