Correlation between experimental log k_w values and those predicted by the developed model.

<p>Correlation between experimental log k_w values and those predicted by the developed model.</p

Summary of retention data obtained for 15 studied compounds and their isomers.

<p>Summary of retention data obtained for 15 studied compounds and their isomers.</p

MS/MS fragmentation spectrum of protonated compound 14 (m/z 471, A) and metabolite M1 (m/z 587, B) along with proposed structures of formed fragment ions.

<p>MS/MS fragmentation spectrum of protonated compound 14 (m/z 471, A) and metabolite M1 (m/z 587, B) along with proposed structures of formed fragment ions.</p

Common ions present in MS/MS fragmentation spectra of compound 14 and its three main biotransformation products.

<p>M1 – hydroxylated metabolite, M2 – debrominated metabolite, M3 – metabolite both hydroxylated and debromianted.</p

3-dimentional structures of compound 1 isomers obtained after optimization in the HyperChem software.

<p>3-dimentional structures of compound 1 isomers obtained after optimization in the HyperChem software.</p

Chemical structures of the 15 studied compounds.

<p>Chemical structures of the 15 studied compounds.</p

Summary of metabolic stability assay.

<p>Summary of metabolic stability assay.</p

Proposed MS/MS fragmentation pathway of compound 14.

<p>Proposed MS/MS fragmentation pathway of compound 14.</p