ChemSpider 2D Image | 3-(3-Chloro-4-pyridinyl)-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one | C18H12ClN3O

3-(3-Chloro-4-pyridinyl)-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one

  • Molecular FormulaC18H12ClN3O
  • Average mass321.760 Da
  • Monoisotopic mass321.066895 Da
  • ChemSpider ID24808820

More details:

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

11H-Dibenzo[b,e][1,4]diazepin-11-one, 3-(3-chloro-4-pyridinyl)-5,10-dihydro- [ACD/Index Name]
3-(3-Chlor-4-pyridinyl)-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-on [German] [ACD/IUPAC Name]
3-(3-Chloro-4-pyridinyl)-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one [ACD/IUPAC Name]
3-(3-Chloro-4-pyridinyl)-5,10-dihydro-11H-dibenzo[b,e][1,4]diazépin-11-one [French] [ACD/IUPAC Name]
Kinome_1689

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

Density: 1.3±0.1 g/cm3
Boiling Point: 443.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.1±3.0 kJ/mol
Flash Point: 221.9±28.7 °C
Index of Refraction: 1.647
Molar Refractivity: 88.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.90
ACD/LogD (pH 5.5): 3.88
ACD/BCF (pH 5.5): 524.45
ACD/KOC (pH 5.5): 3078.24
ACD/LogD (pH 7.4): 3.88
ACD/BCF (pH 7.4): 524.72
ACD/KOC (pH 7.4): 3079.81
Polar Surface Area: 54 Å2
Polarizability: 35.0±0.5 10-24cm3
Surface Tension: 51.6±3.0 dyne/cm
Molar Volume: 242.8±3.0 cm3

Click to predict properties on the Chemicalize site


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