ChemSpider 2D Image | 2-Chloro-4-{[(5-cyano-2-pyrazinyl)carbamoyl]amino}-5-methoxybenzoic acid | C14H10ClN5O4

2-Chloro-4-{[(5-cyano-2-pyrazinyl)carbamoyl]amino}-5-methoxybenzoic acid

  • Molecular FormulaC14H10ClN5O4
  • Average mass347.713 Da
  • Monoisotopic mass347.042145 Da
  • ChemSpider ID24808679

More details:

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

2-Chlor-4-{[(5-cyan-2-pyrazinyl)carbamoyl]amino}-5-methoxybenzoesäure [German] [ACD/IUPAC Name]
2-Chloro-4-{[(5-cyano-2-pyrazinyl)carbamoyl]amino}-5-methoxybenzoic acid [ACD/IUPAC Name]
Acide 2-chloro-4-{[(5-cyano-2-pyrazinyl)carbamoyl]amino}-5-méthoxybenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-chloro-4-[[[(5-cyano-2-pyrazinyl)amino]carbonyl]amino]-5-methoxy- [ACD/Index Name]
Kinome_2321

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

Density: 1.6±0.1 g/cm3
Boiling Point: 493.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.0±3.0 kJ/mol
Flash Point: 251.9±28.7 °C
Index of Refraction: 1.668
Molar Refractivity: 81.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.70
ACD/LogD (pH 5.5): 0.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.24
ACD/LogD (pH 7.4): -0.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 137 Å2
Polarizability: 32.2±0.5 10-24cm3
Surface Tension: 91.9±5.0 dyne/cm
Molar Volume: 217.7±5.0 cm3

Click to predict properties on the Chemicalize site


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