- BBB permeant
- Yes
- Bioavailability Score
- 0.55
- Brenk
- 0.0 alert
- CYP1A2 inhibitor
- Yes
- CYP2C19 inhibitor
- No
- CYP2C9 inhibitor
- No
- CYP2D6 inhibitor
- No
- CYP3A4 inhibitor
- No
- Egan
- 0.0
- Fraction Csp3
- 0.0
- GI absorption
- High
- Ghose
- None
- Leadlikeness
- 1.0
- Lipinski
- 0.0
- Log K p (skin permeation)
- -6.27 cm/s
- Log S (Ali)
- -2.22
- Log S (ESOL)
- -2.48
- Log S (SILICOS-IT)
- -3.81
- LogP
- 2.22
- Molar Refractivity
- 51.87
- Muegge
- 1.0
- Num. H-bond acceptors
- 2.0
- Num. H-bond donors
- 1.0
- Num. arom. heavy atoms
- 12
- Num. heavy atoms
- 13
- Num. rotatable bonds
- 1
- P-gp substrate
- No
- PAINS
- 0.0 alert
- PSA
- 51.8 Ų
- Solubility
- 0.572 mg/ml ; 0.00334 mol/l
- Synthetic accessibility
- 1.69
- Veber
- 0.0
- 储存
- 室温，干燥
- 密度
- 1.4±0.1 g/cm³
- 折射率
- 1.621
- 沸点
- 567.6±50.0 °C (760 mmHg)
- 熔点
- 226-228 °C
- 精确质量
- 335.056061
- 蒸汽压
- 0.0±1.6 mmHg (25 °C)
- 酸度系数(pKa)
- 4.74±0.10 (Predicted)
- 闪点
- 297.1±30.1 °C
