- Fraction Csp3
- 0.33
- LOGP
- -0.62140
- Log K p (skin permeation)
- -7.22 cm/s
- Log P o/w (MLOGP)
- -0.24
- Log P o/w (SILICOS-IT)
- 0.76
- Log P o/w (WLOGP)
- -0.62
- Log P o/w (XLOGP3)
- -0.08
- Log P o/w (iLOGP)
- 0.71
- Log S (Ali)
- -0.8
- Log S (ESOL)
- -0.6
- Log S (SILICOS-IT)
- -0.67
- Molar Refractivity
- 31.01
- Num. H-bond acceptors
- 4.0
- Num. H-bond donors
- 1.0
- Num. heavy atoms
- 10
- Num. rotatable bonds
- 1
- PSA
- 63.60000 Ų
- Solubility
- 35.3 mg/ml ; 0.248 mol/l
- Synthetic accessibility
- 2.43
- 储存条件
- 室温
- 密度
- 1.412±0.06 g/cm³ (Predicted)
- 沸点
- 321.6±15.0 °C (Predicted)
- 精确质量
- 142.02700
- 酸度系数(pKa)
- 13.23±0.10 (Predicted)