ChemSpider 2D Image | 3-(2-Hydroxy-1H-indol-3-yl)-5-(1H-indol-3-yl)-1H-pyrrole-2-carboxylate | C21H14N3O3

3-(2-Hydroxy-1H-indol-3-yl)-5-(1H-indol-3-yl)-1H-pyrrole-2-carboxylate

  • Molecular FormulaC21H14N3O3
  • Average mass356.355 Da
  • Monoisotopic mass356.104065 Da
  • ChemSpider ID58164124

  • Charge - Charge

More details:

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

1H-Pyrrole-2-carboxylic acid, 3-(2-hydroxy-1H-indol-3-yl)-5-(1H-indol-3-yl)-, ion(1-) [ACD/Index Name]
3-(2-Hydroxy-1H-indol-3-yl)-5-(1H-indol-3-yl)-1H-pyrrol-2-carboxylat [German] [ACD/IUPAC Name]
3-(2-Hydroxy-1H-indol-3-yl)-5-(1H-indol-3-yl)-1H-pyrrole-2-carboxylate [ACD/IUPAC Name]
3-(2-Hydroxy-1H-indol-3-yl)-5-(1H-indol-3-yl)-1H-pyrrole-2-carboxylate [French] [ACD/IUPAC Name]
deoxyviolaceinate
  • Miscellaneous

    • Chemical Class:

      A monocarboxylic acid anion that is the conjugate base of deoxyviolaceinic acid, resulting from the removal of the proton from the carboxy group. Major structure at pH 7.3. ChEBI CHEBI:90910

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

Density:
Boiling Point: 753.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 115.2±3.0 kJ/mol
Flash Point: 409.3±32.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 4.11
ACD/LogD (pH 5.5): 0.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.32
ACD/LogD (pH 7.4): 0.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.24
Polar Surface Area: 108 Å2
Polarizability:
Surface Tension:
Molar Volume:

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