ChemSpider 2D Image | aqabamycin C | C16H10N2O5

aqabamycin C

  • Molecular FormulaC16H10N2O5
  • Average mass310.261 Da
  • Monoisotopic mass310.058960 Da
  • ChemSpider ID27024978

More details:

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

1H-Pyrrole-2,5-dione, 3-(4-hydroxy-3-nitrophenyl)-4-phenyl- [ACD/Index Name]
3-(4-Hydroxy-3-nitrophenyl)-4-phenyl-1H-pyrrol-2,5-dion [German] [ACD/IUPAC Name]
3-(4-Hydroxy-3-nitrophenyl)-4-phenyl-1H-pyrrole-2,5-dione [ACD/IUPAC Name]
3-(4-Hydroxy-3-nitrophényl)-4-phényl-1H-pyrrole-2,5-dione [French] [ACD/IUPAC Name]
aqabamycin C
1253641-95-0 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 534.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.1±3.0 kJ/mol
Flash Point: 277.1±30.1 °C
Index of Refraction: 1.694
Molar Refractivity: 79.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.98
ACD/LogD (pH 5.5): 2.80
ACD/BCF (pH 5.5): 77.16
ACD/KOC (pH 5.5): 755.11
ACD/LogD (pH 7.4): 1.59
ACD/BCF (pH 7.4): 4.68
ACD/KOC (pH 7.4): 45.83
Polar Surface Area: 112 Å2
Polarizability: 31.3±0.5 10-24cm3
Surface Tension: 72.1±3.0 dyne/cm
Molar Volume: 205.7±3.0 cm3

Click to predict properties on the Chemicalize site


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