AM-679 1206880-66-1
| ACD/LogP: | 7.54±1.41 | # of Rule of 5Violations: | 2 |
| ACD/LogD (pH 5.5): | 6.67 | ACD/LogD (pH 7.4): | 4.87 |
| ACD/BCF (pH 5.5): | 42385.08 | ACD/BCF (pH 7.4): | 670.37 |
| ACD/KOC (pH 5.5): | 40340.04 | ACD/KOC (pH 7.4): | 638.03 |
| #H bond acceptors: | 9 | #H bond donors: | 1 |
| #Freely Rotating Bonds: | 12 | Polar Surface Area: | 132.08 Å2 |
| Index of Refraction: | 1.629 | Molar Refractivity: | 198.5±0.5 cm3 |
| Molar Volume: | 558.8±7.0 cm3 | Polarizability: | 78.7±0.5 10-24cm3 |
| Surface Tension: | 46.6±7.0 dyne/cm | Density: | 1.2±0.1 g/cm3 |
| Flash Point: | 460.1±34.3 °C | Enthalpy of Vaporization: | 127.5±3.0 kJ/mol |
| Boiling Point: | 837.1±65.0 °C at 760 mmHg | Vapour Pressure: | 0.0±3.2 mmHg at 25°C |
