ChemSpider 2D Image | (-)-Fadrozole | C14H13N3

(-)-Fadrozole

  • Molecular FormulaC14H13N3
  • Average mass223.273 Da
  • Monoisotopic mass223.110947 Da
  • ChemSpider ID23127587

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(-)-Fadrozole
102676-86-8 [RN]
4-[(5S)-5,6,7,8-Tetrahydroimidazo[1,5-a]pyridin-5-yl]benzonitril [German] [ACD/IUPAC Name]
4-[(5S)-5,6,7,8-Tetrahydroimidazo[1,5-a]pyridin-5-yl]benzonitrile [ACD/IUPAC Name]
4-[(5S)-5,6,7,8-Tétrahydroimidazo[1,5-a]pyridin-5-yl]benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 4-[(5S)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]- [ACD/Index Name]
(R)-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzonitrile
(S)-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzonitrile
(S)Fadrozole
102676-47-1 [RN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 481.7±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.6±3.0 kJ/mol
Flash Point: 245.1±26.8 °C
Index of Refraction: 1.662
Molar Refractivity: 68.3±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.88
ACD/LogD (pH 5.5): 0.90
ACD/BCF (pH 5.5): 1.16
ACD/KOC (pH 5.5): 13.54
ACD/LogD (pH 7.4): 2.31
ACD/BCF (pH 7.4): 30.21
ACD/KOC (pH 7.4): 350.99
Polar Surface Area: 42 Å2
Polarizability: 27.1±0.5 10-24cm3
Surface Tension: 50.1±7.0 dyne/cm
Molar Volume: 184.7±7.0 cm3

Click to predict properties on the Chemicalize site


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