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- W2020385103 abstract "The quantitative structure-activity relationships between toxicity (log BR), monitored as cell population growth, and two molecular descriptors, the log 1-octanol/water partition coefficient (log Kow) and the Hammett sigma constant (σ) or the ionization parameter (pKa) for a series of 27 ortho-, meta- and para-substituted alkylated or halogenated phenols have been examined. The equation: log BR = 0.7998 (log Kow) + 1.2447 (σ) − 1.5538; r2 = 0.897 s = 0.170 has been found to be an excellent planar model for these chemicals. This model uses the para-position sigma constant as the estimator of ortho-position electronic effects. A similar equation: log BR = 0.7845 (log Kow) − 0.3702 (pKa) + 2.1144; r2 = 0.860 s = 0.199 has-been developed using pKa in place of σ." @default.
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- W2020385103 title "Structure—Activity relationships for mono alkylated or halogenated phenols" @default.
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- W2020385103 doi "https://doi.org/10.1016/0378-4274(87)90147-0" @default.
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