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Search term: SPKRNUOKDWWUGW (Found by InChIKey (skeleton match))
ChemSpider 2D Image | [1-(2-Methoxy-5-nitrobenzyl)-1H-indol-3-yl]acetic acid | C18H16N2O5

[1-(2-Methoxy-5-nitrobenzyl)-1H-indol-3-yl]acetic acid

  • Molecular FormulaC18H16N2O5
  • Average mass340.330 Da
  • Monoisotopic mass340.105927 Da
  • ChemSpider ID31139013

More details:

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

[1-(2-Methoxy-5-nitrobenzyl)-1H-indol-3-yl]acetic acid [ACD/IUPAC Name]
[1-(2-Methoxy-5-nitrobenzyl)-1H-indol-3-yl]essigsäure [German] [ACD/IUPAC Name]
1H-Indole-3-acetic acid, 1-[(2-methoxy-5-nitrophenyl)methyl]- [ACD/Index Name]
Acide [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

Density: 1.3±0.1 g/cm3
Boiling Point: 615.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.0±3.0 kJ/mol
Flash Point: 326.1±31.5 °C
Index of Refraction: 1.633
Molar Refractivity: 90.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.35
ACD/LogD (pH 5.5): 2.58
ACD/BCF (pH 5.5): 29.88
ACD/KOC (pH 5.5): 196.27
ACD/LogD (pH 7.4): 0.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.10
Polar Surface Area: 97 Å2
Polarizability: 35.8±0.5 10-24cm3
Surface Tension: 54.4±7.0 dyne/cm
Molar Volume: 253.1±7.0 cm3

Click to predict properties on the Chemicalize site


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