ChemSpider 2D Image | (5S)-7-Oxo-6,7,12,13-tetrahydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole-5-carboxylic acid | C21H13N3O3

(5S)-7-Oxo-6,7,12,13-tetrahydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole-5-carboxylic acid

  • Molecular FormulaC21H13N3O3
  • Average mass355.346 Da
  • Monoisotopic mass355.095703 Da
  • ChemSpider ID35033958
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(5S)-7-Oxo-6,7,12,13-tetrahydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-5-carbonsäure [German] [ACD/IUPAC Name]
(5S)-7-Oxo-6,7,12,13-tetrahydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole-5-carboxylic acid [ACD/IUPAC Name]
5H-Indolo[2,3-a]pyrrolo[3,4-c]carbazole-5-carboxylic acid, 6,7,12,13-tetrahydro-7-oxo-, (5S)- [ACD/Index Name]
Acide (5S)-7-oxo-6,7,12,13-tétrahydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole-5-carboxylique [French] [ACD/IUPAC Name]
KCT

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 864.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.6±3.0 kJ/mol
Flash Point: 476.6±34.3 °C
Index of Refraction: 1.938
Molar Refractivity: 103.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.42
ACD/LogD (pH 5.5): 0.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.10
ACD/LogD (pH 7.4): -1.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 98 Å2
Polarizability: 41.1±0.5 10-24cm3
Surface Tension: 102.4±3.0 dyne/cm
Molar Volume: 216.4±3.0 cm3

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