ChemSpider 2D Image | 4,5,6,11-Tetrahydro-1h-Pyrazolo[4',3':6,7]cyclohepta[1,2-B]indole | C14H13N3

4,5,6,11-Tetrahydro-1h-Pyrazolo[4',3':6,7]cyclohepta[1,2-B]indole

  • Molecular FormulaC14H13N3
  • Average mass223.273 Da
  • Monoisotopic mass223.110947 Da
  • ChemSpider ID28431027

More details:






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

2H-Pyrazolo[4',3':6,7]cyclohept[1,2-b]indole, 4,5,6,11-tetrahydro- [ACD/Index Name]
4,5,6,11-Tetrahydro-1h-Pyrazolo[4',3':6,7]cyclohepta[1,2-B]indole
4,5,6,11-Tetrahydro-2H-pyrazolo[4',3':6,7]cyclohepta[1,2-b]indol [German] [ACD/IUPAC Name]
4,5,6,11-Tetrahydro-2H-pyrazolo[4',3':6,7]cyclohepta[1,2-b]indole [ACD/IUPAC Name]
4,5,6,11-Tétrahydro-2H-pyrazolo[4',3':6,7]cyclohepta[1,2-b]indole [French] [ACD/IUPAC Name]
4TT

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

Density: 1.3±0.1 g/cm3
Boiling Point: 547.2±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.6±3.0 kJ/mol
Flash Point: 266.0±16.1 °C
Index of Refraction: 1.742
Molar Refractivity: 67.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.48
ACD/LogD (pH 5.5): 2.98
ACD/BCF (pH 5.5): 108.16
ACD/KOC (pH 5.5): 984.19
ACD/LogD (pH 7.4): 3.00
ACD/BCF (pH 7.4): 112.14
ACD/KOC (pH 7.4): 1020.37
Polar Surface Area: 44 Å2
Polarizability: 26.9±0.5 10-24cm3
Surface Tension: 69.3±3.0 dyne/cm
Molar Volume: 167.8±3.0 cm3

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