ChemSpider 2D Image | (1R,3R)-5',7-Dichloro-6-fluoro-3-methyl-2,3,4,9-tetrahydrospiro[beta-carboline-1,3'-indol]-2'(1'H)-one | C19H14Cl2FN3O

(1R,3R)-5',7-Dichloro-6-fluoro-3-methyl-2,3,4,9-tetrahydrospiro[β-carboline-1,3'-indol]-2'(1'H)-one

  • Molecular FormulaC19H14Cl2FN3O
  • Average mass390.238 Da
  • Monoisotopic mass389.049805 Da
  • ChemSpider ID75582518

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,3R)-5',7-Dichlor-6-fluor-3-methyl-2,3,4,9-tetrahydrospiro[β-carboline-1,3'-indol]-2'(1'H)-on [German] [ACD/IUPAC Name]
(1R,3R)-5',7-Dichloro-6-fluoro-3-methyl-2,3,4,9-tetrahydrospiro[β-carboline-1,3'-indol]-2'(1'H)-one [ACD/IUPAC Name]
(1R,3R)-5',7-Dichloro-6-fluoro-3-méthyl-2,3,4,9-tétrahydrospiro[β-carboline-1,3'-indol]-2'(1'H)-one [French] [ACD/IUPAC Name]
Spiro[3H-indole-3,1'-[1H]pyrido[3,4-b]indol]-2(1H)-one, 5,7'-dichloro-6'-fluoro-2',3',4',9'-tetrahydro-3'-methyl-, (3R,3'R)- [ACD/Index 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: 621.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.1±3.0 kJ/mol
Flash Point: 329.6±31.5 °C
Index of Refraction: 1.738
Molar Refractivity: 99.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.61
ACD/LogD (pH 5.5): 3.77
ACD/BCF (pH 5.5): 311.57
ACD/KOC (pH 5.5): 1446.71
ACD/LogD (pH 7.4): 4.34
ACD/BCF (pH 7.4): 1155.36
ACD/KOC (pH 7.4): 5364.70
Polar Surface Area: 57 Å2
Polarizability: 39.3±0.5 10-24cm3
Surface Tension: 72.5±5.0 dyne/cm
Molar Volume: 246.4±5.0 cm3

Click to predict properties on the Chemicalize site


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