ChemSpider 2D Image | 2-{[4-(1H-Indazol-6-ylamino)-1,3,5-triazin-2-yl]amino}benzoic acid | C17H13N7O2

2-{[4-(1H-Indazol-6-ylamino)-1,3,5-triazin-2-yl]amino}benzoic acid

  • Molecular FormulaC17H13N7O2
  • Average mass347.331 Da
  • Monoisotopic mass347.113068 Da
  • ChemSpider ID24808881

More details:

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

2-{[4-(1H-Indazol-6-ylamino)-1,3,5-triazin-2-yl]amino}benzoesäure [German] [ACD/IUPAC Name]
2-{[4-(1H-Indazol-6-ylamino)-1,3,5-triazin-2-yl]amino}benzoic acid [ACD/IUPAC Name]
Acide 2-{[4-(1H-indazol-6-ylamino)-1,3,5-triazin-2-yl]amino}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[4-(1H-indazol-6-ylamino)-1,3,5-triazin-2-yl]amino]- [ACD/Index Name]
Kinome_1246

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

Density: 1.6±0.1 g/cm3
Boiling Point: 695.1±61.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.9±3.0 kJ/mol
Flash Point: 374.2±33.2 °C
Index of Refraction: 1.833
Molar Refractivity: 96.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.27
ACD/LogD (pH 5.5): 1.63
ACD/BCF (pH 5.5): 3.67
ACD/KOC (pH 5.5): 26.11
ACD/LogD (pH 7.4): 0.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.66
Polar Surface Area: 129 Å2
Polarizability: 38.3±0.5 10-24cm3
Surface Tension: 101.4±3.0 dyne/cm
Molar Volume: 219.4±3.0 cm3

Click to predict properties on the Chemicalize site


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