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Search term: UUOFDWFEZRTCDB (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 2-[(5-Chloro-2-thienyl)methyl]-2,3,4,9-tetrahydro-1H-beta-carboline | C16H15ClN2S

2-[(5-Chloro-2-thienyl)methyl]-2,3,4,9-tetrahydro-1H-β-carboline

  • Molecular FormulaC16H15ClN2S
  • Average mass302.822 Da
  • Monoisotopic mass302.064453 Da
  • ChemSpider ID58135196

More details:

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

1H-Pyrido[3,4-b]indole, 2-[(5-chloro-2-thienyl)methyl]-2,3,4,9-tetrahydro- [ACD/Index Name]
2-[(5-Chlor-2-thienyl)methyl]-2,3,4,9-tetrahydro-1H-β-carbolin [German] [ACD/IUPAC Name]
2-[(5-Chloro-2-thienyl)methyl]-2,3,4,9-tetrahydro-1H-β-carboline [ACD/IUPAC Name]
2-[(5-Chloro-2-thiényl)méthyl]-2,3,4,9-tétrahydro-1H-β-carboline [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 447.0±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.5±3.0 kJ/mol
Flash Point: 224.2±27.3 °C
Index of Refraction: 1.720
Molar Refractivity: 86.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.74
ACD/LogD (pH 5.5): 2.33
ACD/BCF (pH 5.5): 12.03
ACD/KOC (pH 5.5): 58.86
ACD/LogD (pH 7.4): 3.93
ACD/BCF (pH 7.4): 474.41
ACD/KOC (pH 7.4): 2320.43
Polar Surface Area: 47 Å2
Polarizability: 34.4±0.5 10-24cm3
Surface Tension: 64.1±3.0 dyne/cm
Molar Volume: 219.5±3.0 cm3

Click to predict properties on the Chemicalize site


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