Found 2 results

Search term: XHNIIQKOPPYGRE (Found by InChIKey (skeleton match))
ChemSpider 2D Image | CSID:21431225 | C24H25NO5

  • Molecular FormulaC24H25NO5
  • Average mass407.459 Da
  • Monoisotopic mass407.173279 Da
  • ChemSpider ID21431225

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

8,11-Epoxy-7H-cyclohepta[f]quinolin-7-ol, 8,9,10,11-tetrahydro-1,2-dimethoxy-7-(2-methoxyphenyl)-3-methyl-, (7R,8R,11S)- [ACD/Index 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: 584.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.8±3.0 kJ/mol
Flash Point: 307.0±30.1 °C
Index of Refraction: 1.634
Molar Refractivity: 114.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.76
ACD/LogD (pH 5.5): 3.17
ACD/BCF (pH 5.5): 123.35
ACD/KOC (pH 5.5): 855.21
ACD/LogD (pH 7.4): 3.54
ACD/BCF (pH 7.4): 287.09
ACD/KOC (pH 7.4): 1990.38
Polar Surface Area: 70 Å2
Polarizability: 45.2±0.5 10-24cm3
Surface Tension: 52.1±3.0 dyne/cm
Molar Volume: 319.0±3.0 cm3

Click to predict properties on the Chemicalize site


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