Molecular connectivity in quantitative structure--activity relationship study of anesthetic and toxic activity of aliphatic hydrocarbons, ethers, and ketones.

The nonempirical molecular connectivity indexes of 27 aliphatic hydrocarbons, ethers, and ketones were calculated. Very good correlations were obtained between anesthetic (AD100) and toxic (LD100 and LD50) activities of these compounds and their molecular connectivity indexes. These quantitative structure--activity relationships are discussed briefly in the light of general anesthesia theories.