ChemSpider 2D Image | N-[(4-Chloro-1H-pyrrol-2-yl)carbonyl]-L-histidine | C11H11ClN4O3

N-[(4-Chloro-1H-pyrrol-2-yl)carbonyl]-L-histidine

  • Molecular FormulaC11H11ClN4O3
  • Average mass282.683 Da
  • Monoisotopic mass282.051971 Da
  • ChemSpider ID52594210

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

L-Histidine, N-[(4-chloro-1H-pyrrol-2-yl)carbonyl]- [ACD/Index Name]
N-[(4-Chlor-1H-pyrrol-2-yl)carbonyl]-L-histidin [German] [ACD/IUPAC Name]
N-[(4-Chloro-1H-pyrrol-2-yl)carbonyl]-L-histidine [ACD/IUPAC Name]
N-[(4-Chloro-1H-pyrrol-2-yl)carbonyl]-L-histidine [French] [ACD/IUPAC Name]
(2S)-2-[(4-CHLORO-1H-PYRROL-2-YL)FORMAMIDO]-3-(1H-IMIDAZOL-4-YL)PROPANOIC ACID
(2S)-2-{[(4-chloro-1H-pyrrol-2-yl)carbonyl]amino}-3-(1H-imidazol-4-yl)propanoic acid

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

Density: 1.6±0.1 g/cm3
Boiling Point: 712.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.4±3.0 kJ/mol
Flash Point: 384.9±32.9 °C
Index of Refraction: 1.666
Molar Refractivity: 67.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.24
ACD/LogD (pH 5.5): -2.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 111 Å2
Polarizability: 26.6±0.5 10-24cm3
Surface Tension: 80.8±3.0 dyne/cm
Molar Volume: 180.3±3.0 cm3

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