Abstract
A quantitative structure-activity relationship (QSAR) was found for predicting the pseudofirst-order reaction rate constant of the alkylating chemical 4-nitrobenzylpyridine with a set of epoxides. The superdelocalizability of the unoccupied levels of the orbital along the carbonoxygen bond of the least substituted carbon was found to be an excellent predictor. This parameter, along with the log of the octanol/water partition coefficient (log P), were found to be predictors in a QSAR for guppy ( Poecilla reticulata) 14-day LC 50 values.
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