- BBB permeant
- No
- Bioavailability Score
- 0.55
- Brenk
- 1.0 alert
- CYP1A2 inhibitor
- No
- CYP2C19 inhibitor
- No
- CYP2C9 inhibitor
- No
- CYP2D6 inhibitor
- No
- CYP3A4 inhibitor
- No
- Egan
- 0.0
- Fraction Csp3
- 0.35
- GI absorption
- High
- Ghose
- None
- Leadlikeness
- 2.0
- Lipinski
- 0.0
- Log K p (skin permeation)
- -6.95 cm/s
- LogP
- 3.32530
- LogS
- -3.66
- Molar Refractivity
- 114.75
- Muegge
- 0.0
- Num. H-bond acceptors
- 6.0
- Num. H-bond donors
- 3.0
- Num. arom. heavy atoms
- 12
- Num. heavy atoms
- 31
- Num. rotatable bonds
- 13
- P-gp substrate
- Yes
- PAINS
- 0.0 alert
- PSA
- 113.96 Ų
- Synthetic accessibility
- 3.92
- Veber
- 1.0
- 储存
- Keep in dark place,Sealed in dry,Store in freezer, under -20°C
- 外观
- 白色至灰白色固体
- 密度
- 1.214 g/cm³
- 折射率
- 1.562
- 旋光度
- Consistent with structure
- 沸点
- 654.7℃ (760 mmHg)
- 溶解度
- 0.0929 mg/ml ; 0.000217 mol/l
- 熔点
- 155.5-156℃
- 精确质量
- 428.19500
- 蒸汽压
- 9.66E-18 mmHg (25℃)
- 酸度系数(pKa)
- 9.75±0.15 (Predicted)
- 闪点
- 349.7℃
