ChemSpider 2D Image | Alofanib | C19H15N3O6S

Alofanib

  • Molecular FormulaC19H15N3O6S
  • Average mass413.404 Da
  • Monoisotopic mass413.068146 Da
  • ChemSpider ID44208820

More details:

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

10171
1612888-66-0 [RN]
3-{[4-Methyl-2-nitro-5-(3-pyridinyl)phenyl]sulfamoyl}benzoesäure [German] [ACD/IUPAC Name]
3-{[4-Methyl-2-nitro-5-(3-pyridinyl)phenyl]sulfamoyl}benzoic acid [ACD/IUPAC Name]
3-{[4-methyl-2-nitro-5-(pyridin-3-yl)phenyl]sulfamoyl}benzoic acid
Acide 3-{[4-méthyl-2-nitro-5-(3-pyridinyl)phényl]sulfamoyl}benzoïque [French] [ACD/IUPAC Name]
alofanib [French] [INN]
alofanib [Spanish] [INN]
Alofanib [INN]
alofanibum [Latin] [INN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 659.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.0±3.0 kJ/mol
Flash Point: 352.7±34.3 °C
Index of Refraction: 1.667
Molar Refractivity: 103.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.00
ACD/LogD (pH 5.5): 1.66
ACD/BCF (pH 5.5): 3.65
ACD/KOC (pH 5.5): 24.25
ACD/LogD (pH 7.4): 0.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 151 Å2
Polarizability: 41.0±0.5 10-24cm3
Surface Tension: 71.9±3.0 dyne/cm
Molar Volume: 277.7±3.0 cm3

Click to predict properties on the Chemicalize site


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