Nintedanib C31H33N5O4 structure

C31H33N5O4 structure
Molecular Formula C31H33N5O4
Average mass 539.625 Da
Density 1.3±0.1 g/cm3
Boiling Point 742.2±60.0 °C at 760 mmHg
Flash Point 402.7±32.9 °C
Molar Refractivity 154.8±0.3 cm3
Polarizability 61.4±0.5 10-24cm3
Surface Tension 58.0±3.0 dyne/cm
Molar Volume 420.1±3.0 cm3

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

Density: 1.3±0.1 g/cm3
Boiling Point: 742.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.2±3.0 kJ/mol
Flash Point: 402.7±32.9 °C
Index of Refraction: 1.658
Molar Refractivity: 154.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 2.59
ACD/LogD (pH 5.5): 0.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.48
ACD/LogD (pH 7.4): 2.48
ACD/BCF (pH 7.4): 37.60
ACD/KOC (pH 7.4): 376.90
Polar Surface Area: 94 Å2
Polarizability: 61.4±0.5 10-24cm3
Surface Tension: 58.0±3.0 dyne/cm
Molar Volume: 420.1±3.0 cm3

Click to predict properties on the Chemicalize site