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ChemSpider 2D Image | 7-ethynyl-1-methyl-5-(2-thienyl)-3H-1,4-benzodiazepin-2-one | C16H12N2OS


  • Molecular FormulaC16H12N2OS
  • Average mass280.344 Da
  • Monoisotopic mass280.067047 Da
  • ChemSpider ID19871711

More details:

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

Density: 1.2±0.0 g/cm3
Boiling Point: 509.5±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 78.0±0.0 kJ/mol
Flash Point: 261.9±0.0 °C
Index of Refraction: 1.649
Molar Refractivity: 83.9±0.0 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.69
ACD/LogD (pH 5.5): 2.69
ACD/BCF (pH 5.5): 64.99
ACD/KOC (pH 5.5): 689.64
ACD/LogD (pH 7.4): 2.69
ACD/BCF (pH 7.4): 65.32
ACD/KOC (pH 7.4): 693.16
Polar Surface Area: 61 Å2
Polarizability: 33.3±0.0 10-24cm3
Surface Tension: 46.7±0.0 dyne/cm
Molar Volume: 230.2±0.0 cm3

Click to predict properties on the Chemicalize site