ChemSpider 2D Image | Doravirine | C17H11ClF3N5O3


  • Molecular FormulaC17H11ClF3N5O3
  • Average mass425.749 Da
  • Monoisotopic mass425.050262 Da
  • ChemSpider ID28424197

More details:

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

1338225-97-0 [RN]
3-Chlor-5-({1-[(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-2-oxo-4-(trifluormethyl)-1,2-dihydro-3-pyridinyl}oxy)benzonitril [German] [ACD/IUPAC Name]
3-Chloro-5-({1-[(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-2-oxo-4-(trifluoromethyl)-1,2-dihydro-3-pyridinyl}oxy)benzonitrile [ACD/IUPAC Name]
3-Chloro-5-({1-[(4-méthyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)méthyl]-2-oxo-4-(trifluorométhyl)-1,2-dihydro-3-pyridinyl}oxy)benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 3-chloro-5-[[1-[(4,5-dihydro-4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)methyl]-1,2-dihydro-2-oxo-4-(trifluoromethyl)-3-pyridinyl]oxy]- [ACD/Index Name]
Doravirine [Spanish] [INN]
Doravirine [French] [INN]
Doravirinum [Latin] [INN]

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

913P6LK81M [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.631
Molar Refractivity: 96.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.01
ACD/LogD (pH 5.5): 2.02
ACD/BCF (pH 5.5): 20.00
ACD/KOC (pH 5.5): 296.87
ACD/LogD (pH 7.4): 1.93
ACD/BCF (pH 7.4): 16.38
ACD/KOC (pH 7.4): 243.15
Polar Surface Area: 98 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 51.5±7.0 dyne/cm
Molar Volume: 271.9±7.0 cm3

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