On January 31, 1992, Debnath, Asim Kumar; Lopez de Compadre, Rosa L.; Shusterman, Alan J.; Hansch, Corwin published an article.Electric Literature of 5709-67-1 The title of the article was Quantitative structure-activity relationship investigation of the role of hydrophobicity in regulating mutagenicity in the Ames test: 2: Mutagenicity of aromatic and heteroaromatic nitro compounds in Salmonella typhimurium TA100. And the article contained the following:
A quant. structure-activity relationship (QSAR) is derived for the mutagenic activity of 117 aromatic and heteroaromatic nitro compounds acting on S. typhimurium TA100. Relative mutagenic activity is bilinearly dependent on hydrophobicity, with an optimal log P of 5.44, and is linearly dependent on the energy of the LUMO of the nitro compound The dependence of mutagenic activity on hydrophobicity and electronic effects is very similar for TA98 and TA100. Mutagenic activity in TA100 does not depend on the size of the aromatic ring system, as its does in TA98. The effect of the choice of assay organism, TA98 vs. TA100, on nitroarene QSAR is similar to the effect previously found for aminoarenes. Lateral verification of QSARs is presented as a tool for establishing the significance of a new QSAR. The experimental process involved the reaction of 2-Nitro-1H-benzo[d]imidazole(cas: 5709-67-1).Electric Literature of 5709-67-1
The Article related to hydrophobicity qsar mutagenicity heteroaromatic nitro compound, structure aromatic nitro compound mutagenicity hydrophobicity, salmonella aromatic nitro compound mutagenicity structure and other aspects.Electric Literature of 5709-67-1
Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem