ChemSpider 2D Image | N-[(1-Chloro-4-hydroxy-3-isoquinolinyl)carbonyl]-L-alanine | C13H11ClN2O4

N-[(1-Chloro-4-hydroxy-3-isoquinolinyl)carbonyl]-L-alanine

  • Molecular FormulaC13H11ClN2O4
  • Average mass294.690 Da
  • Monoisotopic mass294.040741 Da
  • ChemSpider ID24703089

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

L-Alanine, N-[(1-chloro-4-hydroxy-3-isoquinolinyl)carbonyl]- [ACD/Index Name]
N-[(1-Chlor-4-hydroxy-3-isochinolinyl)carbonyl]-L-alanin [German] [ACD/IUPAC Name]
N-[(1-Chloro-4-hydroxy-3-isoquinoléinyl)carbonyl]-L-alanine [French] [ACD/IUPAC Name]
N-[(1-Chloro-4-hydroxy-3-isoquinolinyl)carbonyl]-L-alanine [ACD/IUPAC Name]
(2s)-2-{[(1-Chloro-4-Hydroxyisoquinolin-3-Yl)carbonyl]amino}propanoic Acid
FNT
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL485022/

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

Density: 1.5±0.1 g/cm3
Boiling Point: 651.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.9±3.0 kJ/mol
Flash Point: 348.0±31.5 °C
Index of Refraction: 1.674
Molar Refractivity: 73.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.07
ACD/LogD (pH 5.5): 0.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.98
ACD/LogD (pH 7.4): -1.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 100 Å2
Polarizability: 29.1±0.5 10-24cm3
Surface Tension: 71.2±3.0 dyne/cm
Molar Volume: 195.5±3.0 cm3

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