- BBB permeant
- Yes
- Bioavailability Score
- 0.55
- CYP1A2 inhibitor
- No
- CYP2C19 inhibitor
- Yes
- CYP2C9 inhibitor
- Yes
- CYP2D6 inhibitor
- Yes
- CYP3A4 inhibitor
- Yes
- Fraction Csp3
- 0.27
- GI absorption
- High
- Log K p (skin permeation)
- -5.83 cm/s
- Log S (Ali)
- -5.03
- Log S (ESOL)
- -4.74
- Log S (SILICOS-IT)
- -6.34
- LogP
- 3.10
- Molar Refractivity
- 114.08
- Num. H-bond acceptors
- 3.0
- Num. H-bond donors
- 1.0
- Num. arom. heavy atoms
- 12
- Num. heavy atoms
- 28
- Num. rotatable bonds
- 7
- P-gp substrate
- No
- Synthetic accessibility
- 3.14
- TPSA
- 58.64 Ų
- 储存条件
- 2-8°C,干燥密封
- 密度
- 1.2±0.1 g/cm³
- 折射率
- 1.601
- 沸点
- 635.7±55.0 °C (760 mmHg)
- 溶解度
- 0.00718 mg/ml ; 0.000018 mol/l
- 精确质量
- 398.139709
- 蒸汽压
- 0.0±1.9 mmHg (25 °C)
- 酸度系数(pKa)
- 9.67±0.46 (Predicted)
- 闪点
- 338.3±31.5 °C