- BBB permeant
- Yes
- Bioavailability Score
- 0.85
- 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
- 0.0
- Lipinski
- 0.0
- Log K p (skin permeation)
- -5.75 cm/s
- Log S (Ali)
- -4.04
- Log S (ESOL)
- -3.69
- Log S (SILICOS-IT)
- -4.36
- LogP
- 2.95
- Molar Refractivity
- 61.0
- Muegge
- 0.0
- Num. H-bond acceptors
- 3.0
- Num. H-bond donors
- 2.0
- Num. arom. heavy atoms
- 11
- Num. heavy atoms
- 16
- Num. rotatable bonds
- 2
- P-gp substrate
- No
- PAINS
- 0.0 alert
- PSA
- 65.98 Ų
- Solubility
- 0.052 mg/ml ; 0.000202 mol/l
- Synthetic accessibility
- 2.28
- Veber
- 0.0
- 储存条件
- 室温
- 密度
- 1.6±0.1 g/cm³
- 折射率
- 1.660
- 沸点
- 512.3±50.0 °C (760 mmHg)
- 熔点
- 214 °C (Solv: ethanol (64-17-5))
- 精确质量
- 255.980637
- 蒸汽压
- 0.0±1.4 mmHg (25°C)
- 酸度系数(pKa)
- 3.75±0.10 (Predicted)
- 闪点
- 263.6±30.1 °C
