ChemSpider 2D Image | MEP-FUBINACA | C21H22FN3O3

MEP-FUBINACA

  • Molecular FormulaC21H22FN3O3
  • Average mass383.416 Da
  • Monoisotopic mass383.164520 Da
  • ChemSpider ID68003963

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

L-Norvaline, N-[[1-[(4-fluorophenyl)methyl]-1H-indazol-3-yl]carbonyl]-, methyl ester [ACD/Index Name]
MEP-FUBINACA
Methyl N-{[1-(4-fluorobenzyl)-1H-indazol-3-yl]carbonyl}-L-norvalinate [ACD/IUPAC Name]
Methyl-N-{[1-(4-fluorbenzyl)-1H-indazol-3-yl]carbonyl}-L-norvalinat [German] [ACD/IUPAC Name]
N-{[1-(4-Fluorobenzyl)-1H-indazol-3-yl]carbonyl}-L-norvalinate de méthyle [French] [ACD/IUPAC Name]
methyl (S)-2-(1-(4-fluorobenzyl)-1H-indazole-3-carboxamido)pentanoate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 600.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.3±3.0 kJ/mol
Flash Point: 316.8±30.1 °C
Index of Refraction: 1.594
Molar Refractivity: 104.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.50
ACD/LogD (pH 5.5): 3.30
ACD/BCF (pH 5.5): 189.96
ACD/KOC (pH 5.5): 1488.24
ACD/LogD (pH 7.4): 3.30
ACD/BCF (pH 7.4): 189.86
ACD/KOC (pH 7.4): 1487.44
Polar Surface Area: 73 Å2
Polarizability: 41.4±0.5 10-24cm3
Surface Tension: 43.6±7.0 dyne/cm
Molar Volume: 307.4±7.0 cm3

Click to predict properties on the Chemicalize site


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