agrocinopin B 77193-03-4
| ACD/LogP: | -3.706 | # of Rule of 5Violations: | 2 |
| ACD/LogD (pH 5.5): | -7.15 | ACD/LogD (pH 7.4): | -7.20 |
| ACD/BCF (pH 5.5): | 1.00 | ACD/BCF (pH 7.4): | 1.00 |
| ACD/KOC (pH 5.5): | 1.00 | ACD/KOC (pH 7.4): | 1.00 |
| #H bond acceptors: | 13 | #H bond donors: | 8 |
| #Freely Rotating Bonds: | 20 | Polar Surface Area: | 241.32 Å2 |
| Index of Refraction: | 1.591 | Molar Refractivity: | 75.622 cm3 |
| Molar Volume: | 223.727 cm3 | Polarizability: | 29.979 10-24cm3 |
| Surface Tension: | 103.33699798584 dyne/cm | Density: | 1.753 g/cm3 |
| Flash Point: | 445.33 °C | Enthalpy of Vaporization: | 134.509 kJ/mol |
| Boiling Point: | 812.741 °C at 760 mmHg | Vapour Pressure: | 0 mmHg at 25°C |
