Structure-activity relationship of mutagenic aromatic and heteroaromatic nitro compounds. Correlation with molecular orbital energies and hydrophobicity

K. Debnath, Asim; L. Lopez de Compadre, Rosa; Debnath, Gargi; J. Shusterman, Alan; Hansch, Corwin

doi:10.1021/jm00106a046

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Structure-activity relationship of mutagenic aromatic and heteroaromatic nitro compounds. Correlation with molecular orbital energies and hydrophobicity

Published in Journal of Medicinal Chemistry • Feb 1, 1991

Authors:

Asim K. Debnath

Rosa L. Lopez de Compadre

Gargi Debnath

Abstract

A review of the literature yielded data on over 200 aromatic and heteroaromatic nitro compounds tested for mutagenicity in the Ames test using S. typhimurium TA98. From the data, a quantitative structure-activity relationship (QSAR) has been derived for 188 congeners. The main determinants of mutage...

Subject

Chemistry

Nitro

Nitro compound

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