ChemSpider 2D Image | 1-Benzyl-5-Chloro-3-(Phenylthio)-1h-Indole-2-Carboxylic Acid | C22H16ClNO2S

1-Benzyl-5-Chloro-3-(Phenylthio)-1h-Indole-2-Carboxylic Acid

  • Molecular FormulaC22H16ClNO2S
  • Average mass393.886 Da
  • Monoisotopic mass393.059021 Da
  • ChemSpider ID22378200

More details:






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

1-Benzyl-5-Chloro-3-(Phenylthio)-1h-Indole-2-Carboxylic Acid
SF1

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

Density: 1.3±0.1 g/cm3
Boiling Point: 608.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.0±3.0 kJ/mol
Flash Point: 321.7±31.5 °C
Index of Refraction: 1.663
Molar Refractivity: 111.8±0.5 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.82
ACD/LogD (pH 5.5): 4.83
ACD/BCF (pH 5.5): 1233.44
ACD/KOC (pH 5.5): 2202.69
ACD/LogD (pH 7.4): 3.34
ACD/BCF (pH 7.4): 40.21
ACD/KOC (pH 7.4): 71.81
Polar Surface Area: 68 Å2
Polarizability: 44.3±0.5 10-24cm3
Surface Tension: 51.5±7.0 dyne/cm
Molar Volume: 301.7±7.0 cm3

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