- Fraction Csp3
- 0.42
- Log K p (skin permeation)
- -4.58 cm/s
- Log S (Ali)
- -4.57
- Log S (ESOL)
- -3.72
- Log S (SILICOS-IT)
- -3.39
- LogP
- 2.97340
- LogP (MLOGP)
- 3.13
- LogP (SILICOS-IT)
- 2.78
- LogP (WLOGP)
- 2.97
- LogP (XLOGP3)
- 4.08
- LogP (iLOGP)
- 2.15
- Molar Refractivity
- 57.34
- Num. H-bond acceptors
- 2.0
- Num. H-bond donors
- 1.0
- Num. arom. heavy atoms
- 6
- Num. heavy atoms
- 14
- Num. rotatable bonds
- 3
- PSA
- 37.30000
- Solubility
- 0.0365 mg/ml ; 0.00019 mol/l
- 密度
- 1.042±0.06 g/cm³ (Predicted)
- 沸点
- 302.2±21.0 °C (Predicted)
- 熔点
- 190-192.1 °C (Solv: water (7732-18-5); ethanol (64-17-5))
- 精确质量
- 192.11500
- 酸度系数(pKa)
- 4.37±0.10 (Predicted)
