ChemSpider 2D Image | N-(4-Amino-2-chlorobenzoyl)-L-tryptophan | C18H16ClN3O3

N-(4-Amino-2-chlorobenzoyl)-L-tryptophan

  • Molecular FormulaC18H16ClN3O3
  • Average mass357.791 Da
  • Monoisotopic mass357.088013 Da
  • ChemSpider ID23155887
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

L-Tryptophan, N-(4-amino-2-chlorobenzoyl)- [ACD/Index Name]
N-(4-Amino-2-chlorbenzoyl)-L-tryptophan [German] [ACD/IUPAC Name]
N-(4-Amino-2-chlorobenzoyl)-L-tryptophan [ACD/IUPAC Name]
N-(4-Amino-2-chlorobenzoyl)-L-tryptophane [French] [ACD/IUPAC Name]
(S)-2-(4-Amino-2-chloro-benzoylamino)-3-(1H-indol-3-yl)-propionic acid
CHEMBL293608
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL293608/

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

Density: 1.5±0.1 g/cm3
Boiling Point: 674.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.0±3.0 kJ/mol
Flash Point: 361.6±31.5 °C
Index of Refraction: 1.717
Molar Refractivity: 96.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 1.84
ACD/LogD (pH 5.5): 0.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.00
ACD/LogD (pH 7.4): -1.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 108 Å2
Polarizability: 38.3±0.5 10-24cm3
Surface Tension: 72.9±3.0 dyne/cm
Molar Volume: 245.2±3.0 cm3

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