Mephedrone C11H15NO structure – Flashcards

Flashcard maker : Daniel Thompson

C11H15NO structure
Molecular Formula C11H15NO
Average mass 177.243 Da
Density 1.0±0.1 g/cm3
Boiling Point 280.2±23.0 °C at 760 mmHg
Flash Point 109.6±22.8 °C
Molar Refractivity 53.9±0.3 cm3
Polarizability 21.4±0.5 10-24cm3
Surface Tension 34.5±3.0 dyne/cm
Molar Volume 179.4±3.0 cm3
  • Experimental data
  • Predicted – ACD/Labs
  • Predicted – ChemAxon
  • Predicted – Mcule
  • Gas Chromatography
    • Retention Index (Kovats):

      1475 (estimated with error: 89) NIST Spectra mainlib_378823

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

Density: 1.0±0.1 g/cm3
Boiling Point: 280.2±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.9±3.0 kJ/mol
Flash Point: 109.6±22.8 °C
Index of Refraction: 1.513
Molar Refractivity: 53.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.86
ACD/LogD (pH 5.5): 0.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.31
ACD/LogD (pH 7.4): 1.59
ACD/BCF (pH 7.4): 8.04
ACD/KOC (pH 7.4): 126.64
Polar Surface Area: 29 Å2
Polarizability: 21.4±0.5 10-24cm3
Surface Tension: 34.5±3.0 dyne/cm
Molar Volume: 179.4±3.0 cm3

Click to predict properties on the Chemicalize site

  • 1-Click Docking
  • 1-Click Scaffold Hop

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