- BBB permeant
- Yes
- Bioavailability Score
- 0.55
- CYP1A2 inhibitor
- No
- CYP2C19 inhibitor
- No
- CYP2C9 inhibitor
- No
- CYP2D6 inhibitor
- No
- CYP3A4 inhibitor
- No
- Fraction Csp3
- 0.71
- GI absorption
- High
- Log K p (skin permeation)
- -6.67 cm/s
- Log S (Ali)
- -1.37
- Log S (ESOL)
- -0.81
- LogP
- 0.02
- Molar Refractivity
- 38.51
- Num. H-bond acceptors
- 2.0
- Num. H-bond donors
- 1.0
- Num. heavy atoms
- 10
- Num. rotatable bonds
- 5
- P-gp substrate
- No
- PSA
- 52.89 Ų
- Synthetic accessibility
- 1.36
- 储存条件
- 室温
- 密度
- 1.0±0.1 g/cm³
- 折射率
- 1.443
- 沸点
- 325.2±25.0 °C (760 mmHg)
- 溶解度
- 21.8 mg/ml ; 0.156 mol/l
- 熔点
- 54 °C
- 精确质量
- 140.094955
- 蒸汽压
- 0.0±0.7 mmHg (25 °C)
- 酸度系数(pKa)
- 5.70±0.10 (Predicted)
- 闪点
- 150.5±23.2 °C
