The integrated molecular transform FT is a unitary numerical index m of structure that is capable of uniquely representing different molecular structure conformations with the exception of enantiomers. Other molecular indices have been Ε½ . derived from FT as well as from the normalized molecular moment M , for example, m n Ε½ . Ε½ the analogous electronic and charge transforms FT and FT and moments M and e c e . M . In this study, each of these indices was calculated for up to 10 sampled conformations c of each of the C αC normal alkanes as they were subjected to a standard annealing 1 1 0 process. Statistical analyses of the resulting data in the individual series and subsequent box plots, permitting facile examination of those results, indicated that the respective Ε½ . transform indices FT , FT , FT are unique, that is, with no statistically significantly m e c overlap across the series. For the M and M indices, the numerical values for methane n e overlapped those of ethane in the first instance and both ethane and propane in the second. The M index values overlapped in several instances in the series. Inasmuch as c
the noted molecular indices are based only on parameters of structural origin, these results have profound implications for the correlation and estimation of properties derived not only from a general structure representation, but also for those properties which may be dependent on specific molecular conformations. This includes the potential for indices of molecular flexibility and conformationally dependent atomic electron densities.