- BBB permeant
- Yes
- Bioavailability Score
- 0.56
- Brenk
- 0.0 alert
- CYP1A2 inhibitor
- No
- CYP2C19 inhibitor
- No
- CYP2C9 inhibitor
- No
- CYP2D6 inhibitor
- No
- CYP3A4 inhibitor
- No
- Consensus Log P o/w
- 2.44
- Egan
- 0.0
- Fraction Csp3
- 0.36
- GI absorption
- High
- Ghose
- None
- Leadlikeness
- 1.0
- Lipinski
- 0.0
- Log K p (skin permeation)
- -5.51 cm/s
- Log P o/w (MLOGP)
- 2.58
- Log P o/w (SILICOS-IT)
- 2.73
- Log P o/w (WLOGP)
- 2.27
- Log P o/w (XLOGP3)
- 2.64
- Log P o/w (iLOGP)
- 1.97
- Log S (Ali)
- -3.07
- Log S (ESOL)
- -2.69
- Log S (SILICOS-IT)
- -3.37
- LogP
- 2.83
- Molar Refractivity
- 52.57
- Muegge
- 1.0
- Num. H-bond acceptors
- 2.0
- Num. H-bond donors
- 1.0
- Num. arom. heavy atoms
- 6
- Num. heavy atoms
- 13
- Num. rotatable bonds
- 4
- P-gp substrate
- No
- PAINS
- 0.0 alert
- PSA
- 37.30000
- Solubility
- 0.367 mg/ml ; 0.00206 mol/l
- Synthetic accessibility
- 1.06
- TPSA
- 37.3
Ų
- Veber
- 0.0
- 储存条件
- 室温
- 密度
- 1.1±0.1 g/cm3
- 折射率
- 1.533
- 沸点
- 304.0±11.0 °C at 760 mmHg
- 熔点
- 72ºC
- 精确质量
- 178.099380
- 蒸汽压
- 0.0±0.7 mmHg at 25°C
- 闪点
- 201.1±14.4 °C
