QSPR ANALYSIS OF CERTAIN DEGREE AND ECCENTRICITY BASED TOPOLOGICAL INDICES AND BUTANE DERIVATIVES
Anjusha Asok, Joseph Varghese Kureethara · RASAYAN Journal of Chemistry · 2019
Butane derivatives are chemical compounds formally derived from Butane C4H10 by replacement of one or more hydrogen atoms with other atoms or functional groups.In this paper, we do the QSPR analysis of few Butane derivatives with respect to some selected degree based topological indices and one eccentricity based topological index.In QSPR studies, topological indices are extensively used in determining specific bioactivity of chemical compounds.Our study showcases some important results on the correlation between Heavy atomic count, Complexity, Density, Surface tension and Index of refraction of Butane derivatives with the selected topological indices which further helps in characterizing the predicting power of these topological indices.