Paliperidone Palmitate C39H57FN4O4 structure

C39H57FN4O4 structure
Molecular Formula C39H57FN4O4
Average mass 664.893 Da
Density 1.2±0.1 g/cm3
Boiling Point 736.3±70.0 °C at 760 mmHg
Flash Point 399.1±35.7 °C
Molar Refractivity 187.6±0.5 cm3
Polarizability 74.4±0.5 10-24cm3
Surface Tension 43.6±7.0 dyne/cm
Molar Volume 556.1±7.0 cm3

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

Density: 1.2±0.1 g/cm3
Boiling Point: 736.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.4±3.0 kJ/mol
Flash Point: 399.1±35.7 °C
Index of Refraction: 1.590
Molar Refractivity: 187.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 2
ACD/LogP: 9.85
ACD/LogD (pH 5.5): 6.99
ACD/BCF (pH 5.5): 30200.78
ACD/KOC (pH 5.5): 10794.87
ACD/LogD (pH 7.4): 8.69
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 541726.31
Polar Surface Area: 88 Å2
Polarizability: 74.4±0.5 10-24cm3
Surface Tension: 43.6±7.0 dyne/cm
Molar Volume: 556.1±7.0 cm3

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