- BBB permeant
- No
- CYP1A2 inhibitor
- No
- CYP2C19 inhibitor
- No
- CYP2C9 inhibitor
- No
- CYP2D6 inhibitor
- No
- CYP3A4 inhibitor
- No
- Fraction Csp3
- 0.0
- GI absorption
- High
- Log K p (skin permeation)
- -6.51 cm/s
- Log S (Ali)
- -3.27
- Log S (ESOL)
- -1.97
- Log S (SILICOS-IT)
- -1.49
- LogP
- 1.24
- MLOGP
- -0.53
- Molar Refractivity
- 47.76
- Num. H-bond acceptors
- 3.0
- Num. H-bond donors
- 2.0
- Num. arom. heavy atoms
- 6
- Num. heavy atoms
- 13
- Num. rotatable bonds
- 2
- P-gp substrate
- No
- PSA
- 114.93 Ų
- SILICOS-IT LogP
- -1.46
- WLOGP
- 0.81
- XLogP3
- 1.26
- iLOGP
- 0.44
- 储存条件
- 2-8°C, Keep in dark place, Inert atmosphere
- 外观
- 黄至棕色固体
- 密度
- 1.5±0.1 g/cm³
- 折射率
- 1.676
- 沸点
- 389.5±27.0 °C (760 mmHg)
- 溶解度
- 1.96 mg/ml ; 0.0108 mol/l
- 熔点
- 222-224 °C
- 精确质量
- 181.048737
- 蒸汽压
- 0.0±0.9 mmHg (25 °C)
- 酸度系数(pKa)
- 14.79±0.50 (Predicted)
- 闪点
- 189.4±23.7 °C
