- BBB permeant
- Yes
- Bioavailability Score
- 0.55
- Brenk alert
- 1.0
- CYP1A2 inhibitor
- Yes
- CYP2C19 inhibitor
- Yes
- CYP2C9 inhibitor
- Yes
- CYP2D6 inhibitor
- Yes
- CYP3A4 inhibitor
- Yes
- Egan
- 0.0
- Fraction Csp3
- 0.19
- GI absorption
- High
- Ghose
- None
- Leadlikeness
- 0.0
- Lipinski
- 0.0
- Log K p (skin permeation)
- -5.89 cm/s
- Log P o/w (MLOGP)
- 1.91
- Log P o/w (SILICOS-IT)
- 3.09
- Log P o/w (WLOGP)
- 2.92
- Log P o/w (XLOGP3)
- 2.91
- Log P o/w (iLOGP)
- 2.06
- Log S (Ali)
- -3.86
- Log S (SILICOS-IT)
- -5.16
- LogP
- 3.31
- LogS
- -3.47
- Molar Refractivity
- 78.51
- Muegge
- 0.0
- Num. H-bond acceptors
- 3.0
- Num. H-bond donors
- 1.0
- Num. arom. heavy atoms
- 12
- Num. heavy atoms
- 20
- Num. rotatable bonds
- 5
- P-gp substrate
- No
- PAINS alert
- 0.0
- PSA
- 61.55 Ų
- Solubility
- 0.0921 mg/ml ; 0.000339 mol/l
- Synthetic accessibility
- 2.25
- Veber
- 0.0
- 储存条件
- 室温，避光，惰性气体保存
- 外观
- 浅黄色至黄色固体
- 密度
- 1.2±0.1 g/cm³
- 折射率
- 1.591
- 沸点
- 450.4±40.0 °C (760 mmHg)
- 熔点
- 135-137℃
- 精确质量
- 271.120850
- 蒸汽压
- 0.0±1.1 mmHg (25 °C)
- 酸度系数(pKa)
- 2.48±0.10 (Predicted)
- 闪点
- 205.1±23.7 °C
