- Aromatic heavy atoms
- 10
- BBB permeant
- Yes
- Bioavailability Score
- 0.55
- CYP1A2 inhibitor
- Yes
- CYP2C19 inhibitor
- No
- CYP2C9 inhibitor
- No
- CYP2D6 inhibitor
- No
- CYP3A4 inhibitor
- No
- Consensus Log P o/w
- 1.41
- Fraction Csp3
- 0.1
- GI absorption
- High
- H-bond acceptors
- 2.0
- H-bond donors
- 1.0
- Heavy atoms
- 13
- Log K p (skin permeation)
- -6.54 cm/s
- Log P o/w (MLOGP)
- 0.88
- Log P o/w (SILICOS-IT)
- 1.7
- Log P o/w (WLOGP)
- 1.83
- Log P o/w (XLOGP3)
- 1.16
- Log P o/w (iLOGP)
- 1.47
- Log S (Ali)
- -1.77
- Log S (ESOL)
- -2.15
- Log S (SILICOS-IT)
- -3.46
- LogP
- 2.40680
- Molar Refractivity
- 52.64
- P-gp substrate
- No
- PSA
- 48.14 Ų
- Rotatable bonds
- 1
- Synthetic accessibility
- 1.71
- 储存条件
- 室温，避光保存，惰性气氛
- 密度
- 1.217±0.06 g/cm³ (Predicted)
- 沸点
- 350.7±22.0 °C (Predicted)
- 溶解度
- 1.22 mg/ml ; 0.00701 mol/l
- 熔点
- 125-126 °C
- 精确质量
- 174.07900
- 酸度系数(pKa)
- 3.28±0.28 (Predicted)
