- Fraction Csp3
- 0.5
- Log K p (skin permeation)
- -7.13 cm/s
- Log S (Ali)
- -0.76
- Log S (ESOL)
- -1.22
- Log S (SILICOS-IT)
- -2.34
- LogP
- -0.03
- Molar Refractivity
- 43.75
- Num. H-bond acceptors
- 4.0
- Num. H-bond donors
- 0.0
- Num. arom. heavy atoms
- 6
- Num. heavy atoms
- 12
- Num. rotatable bonds
- 3
- PSA
- 44.24 Ų
- Synthetic accessibility
- 2.12
- 储存条件
- 2-8°C, under inert gas (nitrogen or Argon)
- 外观
- 无色至浅黄色液体
- 密度
- 1.1±0.1 g/cm³
- 折射率
- 1.492
- 沸点
- 202.3±25.0 °C (760 mmHg)
- 溶解度
- 10.0 mg/ml ; 0.0596 mol/l
- 精确质量
- 168.089874
- 蒸汽压
- 0.4±0.4 mmHg (25 °C)
- 酸度系数(pKa)
- 1.40±0.31 (Predicted)
- 闪点
- 72.8±13.4 °C
