A novel molecular electronegativity-distance vector (MEDV)

A novel structural descriptor, called molecular electronegativity - distanc e vector (MEDV), is developed to describe the structure of an organic compo und consisting of carbon, hydrogen, oxygen, nitrogen, sulphur and so on. Us ing tryptophan as an example, which contains element C, H, N and O and a fi ve-membered and a six-membered ring and diverse chemical bonds, a procedure for calculating MEDV of the molecule is illustrated and a computer program written in True BASIC language is devised. The novel MEDV descriptor can b e used alone to study the quantitative structure - property relationship (Q SPR) of many properties such as boiling point, critical temperature, retent ion index, and so on for some types of organic compounds including alkanes, alcohols and polycyclic aromatic hydrocarbons.