Physiochemical-activity relations in practice. 1. A rational and self-consistent data bank.
A data bank of substituent constants of 26 ortho and 34 meta and para benzenoid substituents is presented for use in physicochemical-activity relations (PAR) studies. The distributive parameters pri and pri-, a bulk parameter based on molar refraction, and positionally weighted electronic parameters F and R are listed for the three substituent positions. There are no gaps in the table caused by missing values and the interparameter correlation are low.
D055598:Chemical Phenomena; D002627:Chemistry, Physical; D007256:Information Systems; D007700:Kinetics; D013329:Structure-Activity Relationship