ChemSpider 2D Image | 6-{[(5-Cyano-2-pyrazinyl)carbamoyl]amino}-2-naphthoic acid | C17H11N5O3

6-{[(5-Cyano-2-pyrazinyl)carbamoyl]amino}-2-naphthoic acid

  • Molecular FormulaC17H11N5O3
  • Average mass333.301 Da
  • Monoisotopic mass333.086182 Da
  • ChemSpider ID24625794

More details:






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

2-Naphthalenecarboxylic acid, 6-[[[(5-cyano-2-pyrazinyl)amino]carbonyl]amino]- [ACD/Index Name]
6-{[(5-Cyan-2-pyrazinyl)carbamoyl]amino}-2-naphthoesäure [German] [ACD/IUPAC Name]
6-{[(5-Cyano-2-pyrazinyl)carbamoyl]amino}-2-naphthoic acid [ACD/IUPAC Name]
6-{[(5-Cyanopyrazin-2-Yl)carbamoyl]amino}naphthalene-2-Carboxylic Acid
Acide 6-{[(5-cyano-2-pyrazinyl)carbamoyl]amino}-2-naphtoïque [French] [ACD/IUPAC Name]
Chk1_89
H5K
Kinome_2299

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

Density: 1.5±0.1 g/cm3
Boiling Point: 523.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.9±3.0 kJ/mol
Flash Point: 270.5±30.1 °C
Index of Refraction: 1.735
Molar Refractivity: 87.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.56
ACD/LogD (pH 5.5): 1.00
ACD/BCF (pH 5.5): 1.65
ACD/KOC (pH 5.5): 21.28
ACD/LogD (pH 7.4): -0.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 128 Å2
Polarizability: 34.7±0.5 10-24cm3
Surface Tension: 96.3±5.0 dyne/cm
Molar Volume: 218.1±5.0 cm3

Click to predict properties on the Chemicalize site






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