ChemSpider 2D Image | [6-(3,5-Diaminophenyl)-1-(2-methoxy-5-nitrobenzyl)-1H-indol-3-yl]acetic acid | C24H22N4O5

[6-(3,5-Diaminophenyl)-1-(2-methoxy-5-nitrobenzyl)-1H-indol-3-yl]acetic acid

  • Molecular FormulaC24H22N4O5
  • Average mass446.455 Da
  • Monoisotopic mass446.159027 Da
  • ChemSpider ID31139019

More details:

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

[6-(3,5-Diaminophenyl)-1-(2-methoxy-5-nitrobenzyl)-1H-indol-3-yl]acetic acid [ACD/IUPAC Name]
[6-(3,5-Diaminophenyl)-1-(2-methoxy-5-nitrobenzyl)-1H-indol-3-yl]essigsäure [German] [ACD/IUPAC Name]
1H-Indole-3-acetic acid, 6-(3,5-diaminophenyl)-1-[(2-methoxy-5-nitrophenyl)methyl]- [ACD/Index Name]
Acide [6-(3,5-diaminophényl)-1-(2-méthoxy-5-nitrobenzyl)-1H-indol-3-yl]acétique [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 824.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 125.6±3.0 kJ/mol
Flash Point: 452.4±34.3 °C
Index of Refraction: 1.684
Molar Refractivity: 119.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 2.02
ACD/LogD (pH 5.5): 1.89
ACD/BCF (pH 5.5): 8.48
ACD/KOC (pH 5.5): 75.05
ACD/LogD (pH 7.4): 0.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.39
Polar Surface Area: 149 Å2
Polarizability: 47.3±0.5 10-24cm3
Surface Tension: 61.0±7.0 dyne/cm
Molar Volume: 314.4±7.0 cm3

Click to predict properties on the Chemicalize site


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