ChemSpider 2D Image | 5-Chloro-7-(methylsulfanyl)-3,4-dihydrobenzo[b][1,7]naphthyridin-1(2H)-one | C13H11ClN2OS

5-Chloro-7-(methylsulfanyl)-3,4-dihydrobenzo[b][1,7]naphthyridin-1(2H)-one

  • Molecular FormulaC13H11ClN2OS
  • Average mass278.757 Da
  • Monoisotopic mass278.028076 Da
  • ChemSpider ID24808457

More details:

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

5-Chlor-7-(methylsulfanyl)-3,4-dihydrobenzo[b][1,7]naphthyridin-1(2H)-on [German] [ACD/IUPAC Name]
5-Chloro-7-(methylsulfanyl)-3,4-dihydrobenzo[b][1,7]naphthyridin-1(2H)-one [ACD/IUPAC Name]
5-Chloro-7-(méthylsulfanyl)-3,4-dihydrobenzo[b][1,7]naphtyridin-1(2H)-one [French] [ACD/IUPAC Name]
Benzo[b][1,7]naphthyridin-1(2H)-one, 5-chloro-3,4-dihydro-7-(methylthio)- [ACD/Index Name]
Kinome_3227

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

Density: 1.4±0.1 g/cm3
Boiling Point: 581.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.0±3.0 kJ/mol
Flash Point: 305.7±30.1 °C
Index of Refraction: 1.709
Molar Refractivity: 75.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.09
ACD/LogD (pH 5.5): 2.74
ACD/BCF (pH 5.5): 70.95
ACD/KOC (pH 5.5): 735.41
ACD/LogD (pH 7.4): 2.74
ACD/BCF (pH 7.4): 70.94
ACD/KOC (pH 7.4): 735.31
Polar Surface Area: 67 Å2
Polarizability: 29.8±0.5 10-24cm3
Surface Tension: 68.4±5.0 dyne/cm
Molar Volume: 192.7±5.0 cm3

Click to predict properties on the Chemicalize site


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