- BBB permeant
- No
- Bioavailability Score
- 0.56
- CYP1A2 inhibitor
- No
- CYP2C19 inhibitor
- No
- CYP2C9 inhibitor
- No
- CYP2D6 inhibitor
- No
- CYP3A4 inhibitor
- No
- GI absorption
- High
- Log K p (skin permeation)
- -7.75 cm/s
- Log S
- -2.45 (Ali)
- LogP
- 0.58 (Consensus Log P o/w)
- Molar Refractivity
- 76.61
- Num. H-bond acceptors
- 6.0
- Num. H-bond donors
- 2.0
- Num. arom. heavy atoms
- 12
- Num. heavy atoms
- 22
- Num. rotatable bonds
- 7
- P-gp substrate
- No
- Synthetic accessibility
- 2.72
- 密度
- 1.39±0.1 g/cm³
- 拓扑分子极性表面积
- 110.52 Ų
- 溶解度
- 2.93 mg/ml ; 0.00967 mol/l
- 熔点
- 272-274 °C
- 线性分子式
- HOOCCH2C4H3N3O(CO2CH2C6H5)
- 酸度系数(pKa)
- 2.95±0.10 (Predicted)