A comparison of AQUAFAC group q-values to their corresponding CLOGP f-values

Yung Chi Lee; Sirirat Pinsuwan; Samuel H. Yalkowsky

doi:10.1016/S0045-6535(97)00198-7

A comparison of AQUAFAC group q-values to their corresponding CLOGP f-values

Yung Chi Lee, Sirirat Pinsuwan, Samuel H. Yalkowsky

Pharmacy Practice and Science

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Abstract

Previous studies have shown that AQUAFAC is more accurate than the general solubility equation for the estimation of aqueous solubility. The relationship between AQUAFAC group q-values and their corresponding CLOGP f-values is investigated in this study. The q- and f-values are comparable in magnitude for hydrocarbon and halocarbon groups but not for hydrogen bonding groups.

Original language	English (US)
Pages (from-to)	775-782
Number of pages	8
Journal	Chemosphere
Volume	35
Issue number	4
DOIs	https://doi.org/10.1016/S0045-6535(97)00198-7
State	Published - Aug 1 1997

ASJC Scopus subject areas

Environmental Engineering
Environmental Chemistry
Chemistry(all)
Pollution
Health, Toxicology and Mutagenesis

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AB - Previous studies have shown that AQUAFAC is more accurate than the general solubility equation for the estimation of aqueous solubility. The relationship between AQUAFAC group q-values and their corresponding CLOGP f-values is investigated in this study. The q- and f-values are comparable in magnitude for hydrocarbon and halocarbon groups but not for hydrogen bonding groups.

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A comparison of AQUAFAC group q-values to their corresponding CLOGP f-values

Abstract

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