A theoretical study of hydrophobic fragment and factor constants of Hansch and Leo: estimation of a few non-available fragments and factors.

ABSTRACT

Hydrophobic fragment constants (f) of benzotriazol-2-yl and Ar-N[CO-]2 systems, and aliphatic H/S polar interaction factors F(H/S) in Cl2CHCONH-Ar and Cl3CCONH-Ar, of Hansch and Leo's constructionist approach, were estimated as 0.69 (standard deviation = 0.17), -1.98, 0.95 and 0.98 respectively. The validity of the first constant has been tested by calculating the log P of compounds not included in the regression.