- Aromatic heavy atoms
- 12
- BBB permeant
- Yes
- Bioavailability Score
- 0.55
- Brenk alert
- 1.0
- CYP1A2 inhibitor
- Yes
- CYP2C19 inhibitor
- Yes
- CYP2C9 inhibitor
- Yes
- CYP2D6 inhibitor
- No
- CYP3A4 inhibitor
- Yes
- Fraction Csp3
- 0.08
- GI absorption
- High
- H-bond acceptors
- 2.0
- H-bond donors
- 1.0
- Heavy atoms
- 18
- Leadlikeness
- 1.0
- Lipinski
- 0.0
- Log S (Ali)
- -4.18
- Log S (ESOL)
- -4.57
- Log S (SILICOS-IT)
- -6.17
- LogP
- 4.55420
- Molar Refractivity
- 81.24
- P-gp substrate
- No
- PAINS alert
- 0.0
- PSA
- 54.55 Ų
- Rotatable bonds
- 3
- Synthetic accessibility
- 2.54
- 储存条件
- 室温,避光保存,干燥密封
- 外观
- 白色固体
- 密度
- 1.720±0.06 g/cm³ (Predicted)
- 沸点
- 443.4±55.0 °C (Predicted)
- 溶解度
- 可溶于氯仿(少许)、甲醇(少许)
- 熔点
- 90-92 °C
- 皮肤渗透系数Log K p
- -6.19 cm/s
- 精确质量
- 372.96300
- 酸度系数(pKa)
- 8.17±0.10 (Predicted)