Table 12.

Molecules with extreme LogS Deviations.

Compound Name	logS Exp	logS Calc	Deviation
1-Hexadecanol	−7.26	−4.04	−3.22
1-Octadecanol	−8.40	−4.68	−3.72
Bromadiolone	−4.45	−9.33	4.88
Eicosane	−8.17	−12.54	4.37
Hexacosane	−8.33	−16.44	8.11