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ChemSpider 2D Image | N-(5-Chloro-2-sulfanylbenzoyl)-N-cyclopentylglycine | C14H16ClNO3S

N-(5-Chloro-2-sulfanylbenzoyl)-N-cyclopentylglycine

  • Molecular FormulaC14H16ClNO3S
  • Average mass313.800 Da
  • Monoisotopic mass313.053955 Da
  • ChemSpider ID23196826

More details:

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

Glycine, N-(5-chloro-2-mercaptobenzoyl)-N-cyclopentyl- [ACD/Index Name]
N-(5-Chlor-2-sulfanylbenzoyl)-N-cyclopentylglycin [German] [ACD/IUPAC Name]
N-(5-Chloro-2-sulfanylbenzoyl)-N-cyclopentylglycine [ACD/IUPAC Name]
N-(5-Chloro-2-sulfanylbenzoyl)-N-cyclopentylglycine [French] [ACD/IUPAC Name]
[(5-Chloro-2-mercapto-benzoyl)-cyclopentyl-amino]-acetic acid

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

Density: 1.4±0.1 g/cm3
Boiling Point: 548.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 87.1±3.0 kJ/mol
Flash Point: 285.2±30.1 °C
Index of Refraction: 1.626
Molar Refractivity: 80.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.10
ACD/LogD (pH 5.5): 0.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.38
ACD/LogD (pH 7.4): -2.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 96 Å2
Polarizability: 31.7±0.5 10-24cm3
Surface Tension: 62.1±5.0 dyne/cm
Molar Volume: 226.1±5.0 cm3

Click to predict properties on the Chemicalize site


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