ChemSpider 2D Image | 7-Hydroxyondansetron | C18H19N3O2

7-Hydroxyondansetron

  • Molecular FormulaC18H19N3O2
  • Average mass309.362 Da
  • Monoisotopic mass309.147736 Da
  • ChemSpider ID31046611

More details:

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

1,2,3,9-Tetrahydro-7-hydroxy-9-methyl-3-[(2-methyl-1H-imidazol-1-yl)methyl]-4H-carbazol-4-one
126702-17-8 [RN]
4H-Carbazol-4-one, 1,2,3,9-tetrahydro-7-hydroxy-9-methyl-3-[(2-methyl-1H-imidazol-1-yl)methyl]- [ACD/Index Name]
7-Hydroxy Ondansetron
7-Hydroxy-9-methyl-3-[(2-methyl-1H-imidazol-1-yl)methyl]-1,2,3,9-tetrahydro-4H-carbazol-4-on [German] [ACD/IUPAC Name]
7-Hydroxy-9-methyl-3-[(2-methyl-1H-imidazol-1-yl)methyl]-1,2,3,9-tetrahydro-4H-carbazol-4-one [ACD/IUPAC Name]
7-Hydroxy-9-méthyl-3-[(2-méthyl-1H-imidazol-1-yl)méthyl]-1,2,3,9-tétrahydro-4H-carbazol-4-one [French] [ACD/IUPAC Name]
7-Hydroxyondansetron
7-Hydroxy Ondansetron Hydrochloride
7-HYDROXY-9-METHYL-3-[(2-METHYL-1H-IMIDAZOL-1-YL)METHYL]-2,3,4,9-TETRAHYDRO-1H-CARBAZOL-4-ONE
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

FA93J3KSIH [DBID]
UNII:FA93J3KSIH [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 602.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.9±3.0 kJ/mol
Flash Point: 318.1±30.1 °C
Index of Refraction: 1.697
Molar Refractivity: 87.6±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.34
ACD/LogD (pH 5.5): 0.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.96
ACD/LogD (pH 7.4): 2.12
ACD/BCF (pH 7.4): 19.93
ACD/KOC (pH 7.4): 235.88
Polar Surface Area: 60 Å2
Polarizability: 34.7±0.5 10-24cm3
Surface Tension: 53.3±7.0 dyne/cm
Molar Volume: 227.4±7.0 cm3

Click to predict properties on the Chemicalize site


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