Deprecated ChemSpider Record

You have reached the page for a ChemSpider record that has been deprecated.

This page is not active and is only accessible by directly using this URL. If you have been directed here from another website or database please notify the administrator of that resource. See below for more details.

ChemSpider 2D Image | 5-(2-chlorophenyl)-7-ethynyl-1-methyl-3H-1,4-benzodiazepin-2-one | C18H13ClN2O


  • Molecular FormulaC18H13ClN2O
  • Average mass308.762 Da
  • Monoisotopic mass308.071655 Da
  • ChemSpider ID19871700

More details:

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

Density: 1.2±0.0 g/cm3
Boiling Point: 524.9±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 79.9±0.0 kJ/mol
Flash Point: 271.2±0.0 °C
Index of Refraction: 1.616
Molar Refractivity: 89.9±0.0 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.35
ACD/LogD (pH 5.5): 3.35
ACD/BCF (pH 5.5): 208.18
ACD/KOC (pH 5.5): 1588.96
ACD/LogD (pH 7.4): 3.35
ACD/BCF (pH 7.4): 208.22
ACD/KOC (pH 7.4): 1589.30
Polar Surface Area: 33 Å2
Polarizability: 35.7±0.0 10-24cm3
Surface Tension: 42.9±0.0 dyne/cm
Molar Volume: 257.2±0.0 cm3

Click to predict properties on the Chemicalize site