ChemSpider 2D Image | 3-[4-[(E)-[[4-[(2E)-2-[[4-[2-cyanoethyl(methyl)amino]phenyl]methylene]hydrazino]phthalazin-1-yl]hydrazono]methyl]-N-methyl-anilino]propanenitrile | C30H30N10

3-[4-[(E)-[[4-[(2E)-2-[[4-[2-cyanoethyl(methyl)amino]phenyl]methylene]hydrazino]phthalazin-1-yl]hydrazono]methyl]-N-methyl-anilino]propanenitrile

  • Molecular FormulaC30H30N10
  • Average mass530.626 Da
  • Monoisotopic mass530.265503 Da
  • ChemSpider ID24762776

  • Double-bond stereo - Double-bond stereo

More details:

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

3-({4-[(1E)-2-({4-[((1E)-2-{4-[(2-cyanoethyl)methylamino]phenyl}-1-azavinyl)amino]phthalazinyl}amino)-2-azavinyl]phenyl}methylamino)propanenitrile

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

Density: 1.2±0.1 g/cm3
Boiling Point: 856.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 124.4±3.0 kJ/mol
Flash Point: 471.6±34.3 °C
Index of Refraction: 1.645
Molar Refractivity: 160.3±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 5.31
ACD/LogD (pH 5.5): 4.21
ACD/BCF (pH 5.5): 564.26
ACD/KOC (pH 5.5): 1781.38
ACD/LogD (pH 7.4): 5.09
ACD/BCF (pH 7.4): 4238.92
ACD/KOC (pH 7.4): 13382.38
Polar Surface Area: 129 Å2
Polarizability: 63.6±0.5 10-24cm3
Surface Tension: 50.6±7.0 dyne/cm
Molar Volume: 442.3±7.0 cm3

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