ChemSpider 2D Image | NEOPYRROLOMYCIN B | C10H3Cl6NO

NEOPYRROLOMYCIN B

  • Molecular FormulaC10H3Cl6NO
  • Average mass365.855 Da
  • Monoisotopic mass362.834595 Da
  • ChemSpider ID24627596

More details:

Featured data source
Natural Product Updates

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

3,4,5-Trichlor-2-(2,3,4-trichlor-1H-pyrrol-1-yl)phenol [German] [ACD/IUPAC Name]
3,4,5-Trichloro-2-(2,3,4-trichloro-1H-pyrrol-1-yl)phenol [ACD/IUPAC Name]
3,4,5-Trichloro-2-(2,3,4-trichloro-1H-pyrrol-1-yl)phénol [French] [ACD/IUPAC Name]
NEOPYRROLOMYCIN B
Phenol, 3,4,5-trichloro-2-(2,3,4-trichloro-1H-pyrrol-1-yl)- [ACD/Index Name]
  • Miscellaneous

    • Chemical Class:

      A member of the class of trichlorophenols that is 3,4,5-trichlorophenol substituted by a 2,3,4-trichloro-1<element>H</element>-pyrrolyl moiety at position 2. It is isolated from the fermentation broth of <ital>Streptomyces</ital> and exbits broad-spectrum antibacterial activity against a panel of pathogens including variety of drug-susceptible and drug-resistant phenotypes. ChEBI CHEBI:66615
      A member of the class of trichlorophenols that is 3,4,5-trichlorophenol substituted by a 2,3,4-trichloro-1H-pyrrolyl moiety at position 2. It is isolated from the fermentation broth of Streptomyces an d exbits broad-spectrum antibacterial activity against a panel of pathogens including variety of drug-susceptible and drug-resistant phenotypes. ChEBI CHEBI:66615

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

Density: 1.8±0.1 g/cm3
Boiling Point: 467.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.8±3.0 kJ/mol
Flash Point: 236.6±28.7 °C
Index of Refraction: 1.682
Molar Refractivity: 75.9±0.5 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 6.73
ACD/LogD (pH 5.5): 5.55
ACD/BCF (pH 5.5): 5381.96
ACD/KOC (pH 5.5): 8104.23
ACD/LogD (pH 7.4): 3.89
ACD/BCF (pH 7.4): 117.88
ACD/KOC (pH 7.4): 177.51
Polar Surface Area: 25 Å2
Polarizability: 30.1±0.5 10-24cm3
Surface Tension: 54.0±7.0 dyne/cm
Molar Volume: 200.6±7.0 cm3

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