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Table 6 Effect of solvent polarity on molecular properties of betulinic acid

From: Computational investigations of physicochemical, pharmacokinetic, toxicological properties and molecular docking of betulinic acid, a constituent of Corypha taliera (Roxb.) with Phospholipase A2 (PLA2)

Medium (dielectric constant) Chemical hardness (η) Softness (S) Chemical potential (μ) Electronegativity (χ) Electrophilicity index (ω)
Gas Phase 3.219 0.311 −3.086 3.086 1.479
Carbon tetrachloride (2.2) 3.240 0.309 −2.989 2.989 1.379
Chloroform (4.7) 3.254 0.307 −2.968 2.968 1.354
n-Octanol (9.9) 3.221 0.310 −3.020 3.020 1.416
Acetonitrile (35.7) 3.282 0.305 −2.962 2.962 1.336
DMSO (46.8) 3.282 0.305 −2.961 2.961 1.336
Water (78.3) 3.189 0.314 −3.073 3.073 1.480