- BBB permeant
- No
- Bioavailability Score
- 0.56
- Brenk
- 1.0 alert
- CYP1A2 inhibitor
- No
- CYP2C19 inhibitor
- No
- CYP2C9 inhibitor
- No
- CYP2D6 inhibitor
- No
- CYP3A4 inhibitor
- No
- Consensus Log P o/w
- -0.12
- Egan
- 0.0
- Fraction Csp3
- 0.0
- GI absorption
- High
- Ghose
- None
- Leadlikeness
- 1.0
- Lipinski
- 0.0
- Log K p (skin permeation)
- -7.55 cm/s
- Log P o/w (MLOGP)
- -0.53
- Log P o/w (SILICOS-IT)
- -0.21
- Log P o/w (WLOGP)
- 1.41
- Log P o/w (XLOGP3)
- -0.4
- Log P o/w (iLOGP)
- -0.86
- Log S (Ali)
- -0.72
- Log S (ESOL)
- -0.95
- Log S (SILICOS-IT)
- -1.36
- LogP
- 1.40910
- Molar Refractivity
- 34.1
- Muegge
- 1.0
- Num. H-bond acceptors
- 4.0
- Num. H-bond donors
- 1.0
- Num. arom. heavy atoms
- 6
- Num. heavy atoms
- 10
- Num. rotatable bonds
- 1
- P-gp substrate
- No
- PAINS
- 0.0 alert
- PSA
- 75.64000
- Solubility
- 17.7 mg/ml ; 0.111 mol/l
- Synthetic accessibility
- 1.79
- TPSA
- 75.64
Ų
- Veber
- 0.0
- 储存
- under inert gas (nitrogen or Argon) at 2-8°C
- 储存条件
- 室温
- 化学性质
- 固体。pH <7。熔点 330℃(dec.)。
- 外观
- 白色至灰白色固体
- 密度
- 1.509g/cm3
- 折射率
- 1.689
- 熔点
- 330ºC (DEC.)
- 精确质量
- 158.99900
- 酸度系数(pKa)
- -2.85±0.50(Predicted)
