ChemSpider 2D Image | 1-[3-(4-Carboxyphenyl)propyl]-3-dodecanoyl-1H-indole-2-carboxylic acid | C31H39NO5

1-[3-(4-Carboxyphenyl)propyl]-3-dodecanoyl-1H-indole-2-carboxylic acid

  • Molecular FormulaC31H39NO5
  • Average mass505.645 Da
  • Monoisotopic mass505.282837 Da
  • ChemSpider ID23175391

More details:

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

1-[3-(4-Carboxyphenyl)propyl]-3-dodecanoyl-1H-indol-2-carbonsäure [German] [ACD/IUPAC Name]
1-[3-(4-Carboxyphenyl)propyl]-3-dodecanoyl-1H-indole-2-carboxylic acid [ACD/IUPAC Name]
1H-Indole-2-carboxylic acid, 1-[3-(4-carboxyphenyl)propyl]-3-(1-oxododecyl)- [ACD/Index Name]
Acide 1-[3-(4-carboxyphényl)propyl]-3-dodecanoyl-1H-indole-2-carboxylique [French] [ACD/IUPAC Name]
1-[3-(4-Carboxy-phenyl)-propyl]-3-dodecanoyl-1H-indole-2-carboxylic acid
CHEMBL312891
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL312891/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 708.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.8±3.0 kJ/mol
Flash Point: 382.1±32.9 °C
Index of Refraction: 1.574
Molar Refractivity: 145.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 8.08
ACD/LogD (pH 5.5): 6.47
ACD/BCF (pH 5.5): 11132.60
ACD/KOC (pH 5.5): 4748.58
ACD/LogD (pH 7.4): 5.01
ACD/BCF (pH 7.4): 383.04
ACD/KOC (pH 7.4): 163.38
Polar Surface Area: 97 Å2
Polarizability: 57.8±0.5 10-24cm3
Surface Tension: 44.6±7.0 dyne/cm
Molar Volume: 441.8±7.0 cm3

Click to predict properties on the Chemicalize site


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