Found 1 result

Search term: KKRMILJOOIDRQT (Found by InChIKey (skeleton match))
ChemSpider 2D Image | Breitfussin B | C16H11Br2N3O2

Breitfussin B

  • Molecular FormulaC16H11Br2N3O2
  • Average mass437.085 Da
  • Monoisotopic mass434.921783 Da
  • ChemSpider ID28296485

More details:

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

1H-Indole, 6-bromo-3-[2-(5-bromo-1H-pyrrol-2-yl)-5-oxazolyl]-4-methoxy- [ACD/Index Name]
6-Brom-3-[2-(5-brom-1H-pyrrol-2-yl)-1,3-oxazol-5-yl]-4-methoxy-1H-indol [German] [ACD/IUPAC Name]
6-Bromo-3-[2-(5-bromo-1H-pyrrol-2-yl)-1,3-oxazol-5-yl]-4-methoxy-1H-indole [ACD/IUPAC Name]
6-Bromo-3-[2-(5-bromo-1H-pyrrol-2-yl)-1,3-oxazol-5-yl]-4-méthoxy-1H-indole [French] [ACD/IUPAC Name]
Breitfussin B
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4475097/

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

Density: 1.8±0.1 g/cm3
Boiling Point: 665.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.3±3.0 kJ/mol
Flash Point: 356.2±34.3 °C
Index of Refraction: 1.706
Molar Refractivity: 94.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.28
ACD/LogD (pH 5.5): 4.34
ACD/BCF (pH 5.5): 1164.55
ACD/KOC (pH 5.5): 5449.41
ACD/LogD (pH 7.4): 4.34
ACD/BCF (pH 7.4): 1164.62
ACD/KOC (pH 7.4): 5449.71
Polar Surface Area: 67 Å2
Polarizability: 37.5±0.5 10-24cm3
Surface Tension: 62.2±3.0 dyne/cm
Molar Volume: 243.2±3.0 cm3

Click to predict properties on the Chemicalize site


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