| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 10599347 | Bioorganic & Medicinal Chemistry Letters | 2005 | 5 Pages |
Abstract
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.
Related Topics
Physical Sciences and Engineering
Chemistry
Organic Chemistry
Authors
Padmakar V. Khadikar, Vimukta Sharma, R.G. Varma,