ChemSpider 2D Image | N-{4-[(1E)-3-(Hydroxyamino)-3-oxo-1-propen-1-yl]benzyl}-2-(2-methyl-1H-indol-3-yl)ethanaminiumato | C21H24N3O2

N-{4-[(1E)-3-(Hydroxyamino)-3-oxo-1-propen-1-yl]benzyl}-2-(2-methyl-1H-indol-3-yl)ethanaminiumato

  • Molecular FormulaC21H24N3O2
  • Average mass350.434 Da
  • Monoisotopic mass350.186310 Da
  • ChemSpider ID34999872

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

More details:

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

2-Propenamide, N-hydroxy-3-[4-[[[2-(2-methyl-1H-indol-3-yl)ethyl]amino]methyl]phenyl]-, conjugate monoacid, (2E)- [ACD/Index Name]
N-{4-[(1E)-3-(Hydroxyamino)-3-oxo-1-propen-1-yl]benzyl}-2-(2-methyl-1H-indol-3-yl)ethanaminium [German] [ACD/IUPAC Name]
N-{4-[(1E)-3-(Hydroxyamino)-3-oxo-1-propén-1-yl]benzyl}-2-(2-méthyl-1H-indol-3-yl)éthanaminium [French] [ACD/IUPAC Name]
N-{4-[(1E)-3-(Hydroxyamino)-3-oxo-1-propen-1-yl]benzyl}-2-(2-methyl-1H-indol-3-yl)ethanaminiumato [ACD/IUPAC Name]
N-({4-[(1E)-3-(hydroxyamino)-3-oxoprop-1-en-1-yl]phenyl}methyl)-2-(2-methyl-1H-indol-3-yl)ethan-1-aminium
panobinostat cation
panobinostat(1+)
  • Miscellaneous

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.62
ACD/LogD (pH 5.5): 0.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.05
ACD/BCF (pH 7.4): 1.24
ACD/KOC (pH 7.4): 11.08
Polar Surface Area: 82 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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