- Aromatic heavy atoms
- 6
- BBB permeant
- Yes
- Bioavailability Score
- 0.56
- CYP1A2 inhibitor
- No
- CYP2C19 inhibitor
- No
- CYP2C9 inhibitor
- No
- CYP2D6 inhibitor
- No
- CYP3A4 inhibitor
- No
- Fraction Csp3
- 0.43
- GI absorption
- High
- H-bond acceptors
- 4.0
- H-bond donors
- 2.0
- Heavy atoms
- 20
- LogP
- 3.31
- Molar Refractivity
- 76.35
- P-gp substrate
- No
- PSA
- 75.63 Ų
- Rotatable bonds
- 7
- Skin permeation Log K p
- -6.3 cm/s
- Solubility Log S (Ali)
- -3.82
- Solubility Log S (ESOL)
- -3.08
- Solubility Log S (SILICOS-IT)
- -3.78
- Synthetic accessibility
- 2.81
- 储存条件
- 室温
- 密度
- 1.2±0.1 g/cm³
- 折射率
- 1.538
- 沸点
- 446.9±40.0 °C (760 mmHg)
- 溶解度
- 0.247 mg/ml ; 0.000824 mol/l
- 精确质量
- 299.092438
- 蒸汽压
- 0.0±1.1 mmHg (25°C)
- 酸度系数(pKa)
- 4.27±0.10 (Predicted)
- 闪点
- 224.1±27.3 °C
