Found 1 result

Search term: PNDONWACGNWBOR (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 7'-multijuguinone | C18H29NO2

7'-multijuguinone

  • Molecular FormulaC18H29NO2
  • Average mass291.428 Da
  • Monoisotopic mass291.219818 Da
  • ChemSpider ID24663684

More details:

Featured data source
Natural Product Updates

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

12-(5-Hydroxy-6-methyl-2-pyridinyl)-6-dodecanon [German] [ACD/IUPAC Name]
12-(5-Hydroxy-6-methyl-2-pyridinyl)-6-dodecanone [ACD/IUPAC Name]
12-(5-Hydroxy-6-méthyl-2-pyridinyl)-6-dodécanone [French] [ACD/IUPAC Name]
6-Dodecanone, 12-(5-hydroxy-6-methyl-2-pyridinyl)- [ACD/Index Name]
7'-multijuguinone
7?-multijuguinone
  • Miscellaneous

    • Compound Source:

      Isolated from a plant Susan Richardson [Structure found in ChemSpider, confirmed from Natural Product Updates and ChEMBL]
      Senna multijuga (Fabaceae) Susan Richardson [Structure found in ChemSpider, confirmed from Natural Product Updates and ChEMBL]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 480.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.4±3.0 kJ/mol
Flash Point: 244.6±28.7 °C
Index of Refraction: 1.507
Molar Refractivity: 87.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 4.90
ACD/LogD (pH 5.5): 4.34
ACD/BCF (pH 5.5): 1029.07
ACD/KOC (pH 5.5): 4322.59
ACD/LogD (pH 7.4): 4.50
ACD/BCF (pH 7.4): 1495.49
ACD/KOC (pH 7.4): 6281.78
Polar Surface Area: 50 Å2
Polarizability: 34.5±0.5 10-24cm3
Surface Tension: 39.6±3.0 dyne/cm
Molar Volume: 292.4±3.0 cm3

Click to predict properties on the Chemicalize site


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