ChemSpider 2D Image | 1-Ethyl-6-fluoro-4-oxo-7-[(4-~2~H)-1-piperazinyl]-1,4-dihydro-3-quinoline(~2~H)carboxylic acid | C16H16D2FN3O3

1-Ethyl-6-fluoro-4-oxo-7-[(4-2H)-1-piperazinyl]-1,4-dihydro-3-quinoline(2H)carboxylic acid

  • Molecular FormulaC16H16D2FN3O3
  • Average mass321.343 Da
  • Monoisotopic mass321.145782 Da
  • ChemSpider ID95726106

  • Non-standard isotope - Non-standard isotope

More details:

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

1-Ethyl-6-fluor-4-oxo-7-[(4-2H)-1-piperazinyl]-1,4-dihydro-3-chinolin(2H)carbonsäure [German] [ACD/IUPAC Name]
1-Ethyl-6-fluoro-4-oxo-7-[(4-2H)-1-piperazinyl]-1,4-dihydro-3-quinoline(2H)carboxylic acid [ACD/IUPAC Name]
3-Quinolinecarboxylic acid-d, 1-ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl-4-d)- [ACD/Index Name]
Acide 1-éthyl-6-fluoro-4-oxo-7-[(4-2H)-1-pipérazinyl]-1,4-dihydro-3-quinoléine(2H)carboxylique [French] [ACD/IUPAC 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: 555.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.1±3.0 kJ/mol
Flash Point: 289.9±30.1 °C
Index of Refraction: 1.595
Molar Refractivity: 80.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.82
ACD/LogD (pH 5.5): -3.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 73 Å2
Polarizability: 32.0±0.5 10-24cm3
Surface Tension: 53.2±3.0 dyne/cm
Molar Volume: 237.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement