ChemSpider 2D Image | (3S)-10-[4-(4-Chlorophenyl)-4-hydroxy-1-piperidinyl]-9-fluoro-3-methyl-8-nitro-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid | C24H21ClFN3O7

(3S)-10-[4-(4-Chlorophenyl)-4-hydroxy-1-piperidinyl]-9-fluoro-3-methyl-8-nitro-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid

  • Molecular FormulaC24H21ClFN3O7
  • Average mass517.891 Da
  • Monoisotopic mass517.105225 Da
  • ChemSpider ID34521334

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-10-[4-(4-Chlorophenyl)-4-hydroxy-1-piperidinyl]-9-fluoro-3-methyl-8-nitro-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid [ACD/IUPAC Name]
(3S)-10-[4-(4-Chlorphenyl)-4-hydroxy-1-piperidinyl]-9-fluor-3-methyl-8-nitro-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]chinolin-6-carbonsäure [German] [ACD/IUPAC Name]
7H-1,4-Oxazino[2,3,4-ij]quinoline-6-carboxylic acid, 10-[4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl]-9-fluoro-2,3-dihydro-3-methyl-8-nitro-7-oxo-, (3S)- [ACD/Index Name]
Acide (3S)-10-[4-(4-chlorophényl)-4-hydroxy-1-pipéridinyl]-9-fluoro-3-méthyl-8-nitro-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: 784.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 119.7±3.0 kJ/mol
Flash Point: 428.4±32.9 °C
Index of Refraction: 1.717
Molar Refractivity: 124.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 3.47
ACD/LogD (pH 5.5): 1.18
ACD/BCF (pH 5.5): 2.61
ACD/KOC (pH 5.5): 35.26
ACD/LogD (pH 7.4): -0.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 136 Å2
Polarizability: 49.3±0.5 10-24cm3
Surface Tension: 86.1±5.0 dyne/cm
Molar Volume: 315.7±5.0 cm3

Click to predict properties on the Chemicalize site


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