ChemSpider 2D Image | N-[(2Z,3E,5S)-4-Ethyl-2-(hydroxyimino)-5-nitro-3-hexen-1-yl]nicotinamide | C14H18N4O4

N-[(2Z,3E,5S)-4-Ethyl-2-(hydroxyimino)-5-nitro-3-hexen-1-yl]nicotinamide

  • Molecular FormulaC14H18N4O4
  • Average mass306.317 Da
  • Monoisotopic mass306.132813 Da
  • ChemSpider ID32787440

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-Pyridinecarboxamide, N-[(2Z,3E,5S)-4-ethyl-2-(hydroxyimino)-5-nitro-3-hexen-1-yl]- [ACD/Index Name]
N-[(2Z,3E,5S)-4-Ethyl-2-(hydroxyimino)-5-nitro-3-hexen-1-yl]nicotinamid [German] [ACD/IUPAC Name]
N-[(2Z,3E,5S)-4-Ethyl-2-(hydroxyimino)-5-nitro-3-hexen-1-yl]nicotinamide [ACD/IUPAC Name]
N-[(2Z,3E,5S)-4-Éthyl-2-(hydroxyimino)-5-nitro-3-hexén-1-yl]nicotinamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 600.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.0±3.0 kJ/mol
Flash Point: 317.2±31.5 °C
Index of Refraction: 1.582
Molar Refractivity: 80.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.01
ACD/LogD (pH 5.5): 1.66
ACD/BCF (pH 5.5): 10.49
ACD/KOC (pH 5.5): 183.33
ACD/LogD (pH 7.4): 0.87
ACD/BCF (pH 7.4): 1.70
ACD/KOC (pH 7.4): 29.71
Polar Surface Area: 120 Å2
Polarizability: 32.0±0.5 10-24cm3
Surface Tension: 49.4±7.0 dyne/cm
Molar Volume: 241.8±7.0 cm3

Click to predict properties on the Chemicalize site


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