Novel estimation of lipophilicity using 13C NMR chemical shifts as molecular descriptor

This paper describes the use of 13C NMR chemical shift as molecular descriptor (molecular parameter) for modeling lipophilicity (log P). A set of 32 alcohols were chosen for this purpose. The regression analysis of the data showed that 13C NMR chemical shifts of these alcohols can be used as a molecular descriptor (molecular property) for modeling the lipophilicity (log P). Better results are obtained by introducing an indicator parameter.