ChemSpider 2D Image | 2-(5-Carbamimidoyl-2-hydroxyphenoxy)-6-[3-(1H-imidazol-2-yl)phenoxy]isonicotinic acid | C22H17N5O5

2-(5-Carbamimidoyl-2-hydroxyphenoxy)-6-[3-(1H-imidazol-2-yl)phenoxy]isonicotinic acid

  • Molecular FormulaC22H17N5O5
  • Average mass431.401 Da
  • Monoisotopic mass431.122955 Da
  • ChemSpider ID21395437

More details:






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

2-(5-Carbamimidoyl-2-hydroxyphenoxy)-6-[3-(1H-imidazol-2-yl)phenoxy]isonicotinic acid [ACD/IUPAC Name]
2-(5-Carbamimidoyl-2-hydroxyphenoxy)-6-[3-(1H-imidazol-2-yl)phenoxy]isonicotinsäure [German] [ACD/IUPAC Name]
2-[AMINO(IMINO)METHYL]-2-HYDROXYPHENOXY]-6-[3-(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)PHENOXY]PYRIDINE-4-CARBOXYLIC ACID
4-Pyridinecarboxylic acid, 2-[5-[(E)-aminoiminomethyl]-2-hydroxyphenoxy]-6-[3-(1H-imidazol-2-yl)phenoxy]- [ACD/Index Name]
Acide 2-(5-carbamimidoyl-2-hydroxyphénoxy)-6-[3-(1H-imidazol-2-yl)phénoxy]isonicotinique [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 786.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.0±3.0 kJ/mol
Flash Point: 429.5±35.7 °C
Index of Refraction: 1.716
Molar Refractivity: 112.1±0.5 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 1.92
ACD/LogD (pH 5.5): -1.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 167 Å2
Polarizability: 44.4±0.5 10-24cm3
Surface Tension: 66.5±7.0 dyne/cm
Molar Volume: 284.9±7.0 cm3

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