ChemSpider 2D Image | 2-{[1H-Indol-3-yl(oxo)acetyl]amino}ethanesulfonic acid | C12H12N2O5S

2-{[1H-Indol-3-yl(oxo)acetyl]amino}ethanesulfonic acid

  • Molecular FormulaC12H12N2O5S
  • Average mass296.299 Da
  • Monoisotopic mass296.046692 Da
  • ChemSpider ID35517145

More details:

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

2-{[1H-Indol-3-yl(oxo)acetyl]amino}ethanesulfonic acid [ACD/IUPAC Name]
2-{[1H-Indol-3-yl(oxo)acetyl]amino}ethansulfonsäure [German] [ACD/IUPAC Name]
Acide 2-{[2-(1H-indol-3-yl)-2-oxoacétyl]amino}éthanesulfonique [French] [ACD/IUPAC Name]
Ethanesulfonic acid, 2-[[2-(1H-indol-3-yl)-1,2-dioxoethyl]amino]- [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.666
Molar Refractivity: 71.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -1.24
ACD/LogD (pH 5.5): -4.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 125 Å2
Polarizability: 28.1±0.5 10-24cm3
Surface Tension: 78.6±3.0 dyne/cm
Molar Volume: 190.9±3.0 cm3

Click to predict properties on the Chemicalize site


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