ChemSpider 2D Image | (3S)-10-[1-Amino(~2~H_4_)cyclopropyl]-9-fluoro-3-methyl-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid | C16H11D4FN2O4

(3S)-10-[1-Amino(2H4)cyclopropyl]-9-fluoro-3-methyl-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid

  • Molecular FormulaC16H11D4FN2O4
  • Average mass322.324 Da
  • Monoisotopic mass322.126678 Da
  • ChemSpider ID115011002

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(3S)-10-[1-Amino(2H4)cyclopropyl]-9-fluor-3-methyl-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]chinolin-6-carbonsäure [German] [ACD/IUPAC Name]
(3S)-10-[1-Amino(2H4)cyclopropyl]-9-fluoro-3-methyl-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid [ACD/IUPAC Name]
7H-1,4-Oxazino[2,3,4-ij]quinoline-6-carboxylic acid, 10-(1-aminocyclopropyl-2,2,3,3-d4)-9-fluoro-2,3-dihydro-3-methyl-7-oxo-, (3S)- [ACD/Index Name]
Acide (3S)-10-[1-amino(2H4)cyclopropyl]-9-fluoro-3-méthyl-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoléine-6-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 531.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.9±3.0 kJ/mol
Flash Point: 275.2±30.1 °C
Index of Refraction: 1.692
Molar Refractivity: 77.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.09
ACD/LogD (pH 5.5): -1.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 93 Å2
Polarizability: 30.8±0.5 10-24cm3
Surface Tension: 76.4±5.0 dyne/cm
Molar Volume: 202.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement