adipiodone C20H14I6N2O6 structure – Flashcards

Flashcard maker : Noel Macdonald

Molecular Formula C20H14I6N2O6
Average mass 1139.762 Da
Density 2.8±0.1 g/cm3
Boiling Point 908.6±65.0 °C at 760 mmHg
Flash Point 503.3±34.3 °C
Molar Refractivity 179.6±0.3 cm3
Polarizability 71.2±0.5 10-24cm3
Surface Tension 88.2±3.0 dyne/cm
Molar Volume 407.0±3.0 cm3
  • Experimental data
  • Predicted – ACD/Labs
  • Predicted – ChemAxon
  • Predicted – Mcule
  • Experimental Physico-chemical Properties
    • Experimental Melting Point:

      307 °C Jean-Claude Bradley Open Melting Point Dataset 17064
      291-293 °C (Decomposes) LabNetwork LN01298648
  • Miscellaneous
    • Target Organs:

      Others TargetMol T0271
    • Bio Activity:

      Others TargetMol T0271

Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module

Density: 2.8±0.1 g/cm3
Boiling Point: 908.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 138.4±3.0 kJ/mol
Flash Point: 503.3±34.3 °C
Index of Refraction: 1.835
Molar Refractivity: 179.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 2.69
ACD/LogD (pH 5.5): 0.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.74
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 133 Å2
Polarizability: 71.2±0.5 10-24cm3
Surface Tension: 88.2±3.0 dyne/cm
Molar Volume: 407.0±3.0 cm3

Click to predict properties on the Chemicalize site

  • 1-Click Docking
  • 1-Click Scaffold Hop

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