- 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
- 0.09
- GI absorption
- High
- Ghose
- None
- Leadlikeness
- 1.0
- Lipinski
- 0.0
- Log K p (skin permeation)
- -5.68 cm/s
- LogP
- 2.47120
- LogP (MLOGP)
- 2.97
- LogP (SILICOS-IT)
- 3.23
- LogP (WLOGP)
- 2.74
- LogP (XLOGP3)
- 2.39
- LogP (iLOGP)
- 2.01
- LogS (Ali)
- -2.46
- LogS (ESOL)
- -2.94
- LogS (SILICOS-IT)
- -4.18
- Molar Refractivity
- 50.03
- Muegge
- 2.0
- Num. H-bond acceptors
- 2.0
- Num. H-bond donors
- 1.0
- Num. arom. heavy atoms
- 10
- Num. heavy atoms
- 13
- Num. rotatable bonds
- 1
- P-gp substrate
- No
- PAINS
- 0.0 alert
- PSA
- 20.23 Ų
- Synthetic accessibility
- 1.14
- Veber
- 0.0
- 储存条件
- 2-8°C，干燥
- 密度
- 1.244±0.06 g/cm³ (Predicted)
- 沸点
- 324.6±17.0 °C (Predicted)
- 溶解度
- 0.202 mg/ml ; 0.00114 mol/l
- 精确质量
- 176.06400
- 酸度系数(pKa)
- 13.94±0.10 (Predicted)
