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ChemSpider 2D Image | 4-(1-Naphthyl)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid | C27H18N4O3

4-(1-Naphthyl)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid

  • Molecular FormulaC27H18N4O3
  • Average mass446.457 Da
  • Monoisotopic mass446.137878 Da
  • ChemSpider ID34247063

More details:

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

1H-Pyrrolo[3,2-c]pyridine-2-carboxylic acid, 4-(1-naphthalenyl)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]- [ACD/Index Name]
4-(1-Naphthyl)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrrolo[3,2-c]pyridin-2-carbonsäure [German] [ACD/IUPAC Name]
4-(1-Naphthyl)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid [ACD/IUPAC Name]
4-(Naphthalen-1-Yl)-1-[(5-Phenyl-1,2,4-Oxadiazol-3-Yl)methyl]-1h-Pyrrolo[3,2-C]pyridine-2-Carboxylic Acid
Acide 4-(1-naphtyl)-1-[(5-phényl-1,2,4-oxadiazol-3-yl)méthyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxylique [French] [ACD/IUPAC Name]
31X

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

Density: 1.4±0.1 g/cm3
Boiling Point: 735.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.6±3.0 kJ/mol
Flash Point: 398.4±35.7 °C
Index of Refraction: 1.726
Molar Refractivity: 127.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.30
ACD/LogD (pH 5.5): 2.45
ACD/BCF (pH 5.5): 11.00
ACD/KOC (pH 5.5): 38.38
ACD/LogD (pH 7.4): 2.23
ACD/BCF (pH 7.4): 6.62
ACD/KOC (pH 7.4): 23.11
Polar Surface Area: 94 Å2
Polarizability: 50.7±0.5 10-24cm3
Surface Tension: 59.1±7.0 dyne/cm
Molar Volume: 321.7±7.0 cm3

Click to predict properties on the Chemicalize site


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