PMID: 1206492Dec 1, 1975Paper

Molecular connectivity. II: Relationship to water solubility and boiling point

Journal of Pharmaceutical Sciences
L H HallW J Murray

Abstract

The connectivity index, easily computed by arithmetic and based upon the degree of connectedness at each vertex in the molecular skeleton, is shown to give highly significant correlations with water solubility of branched, cyclic, and straight-chain alcohols and hydrocarbons as well as with boiling points of alcohols. These correlations are superior to those based on well-founded theory relating to solvent cavity surface area. An empirical modification to the connectivity index gave an improved correlation for both solubilities and boiling points.

References

Dec 1, 1975·Journal of Pharmaceutical Sciences·L B KierM Randic
Dec 1, 1974·Journal of Pharmaceutical Sciences·G L AmidonS Leung

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Citations

Feb 1, 1982·Bulletin of Environmental Contamination and Toxicology·A Sabljić, M Protić
Jan 5, 2002·Journal of Molecular Graphics & Modelling·L H Hall, L B Kier
Jun 20, 2002·SAR and QSAR in Environmental Research·D AmićN Trinajstić
Nov 22, 2002·SAR and QSAR in Environmental Research·M Thomsen, L Carlsen
Aug 1, 1978·The Journal of Pharmacy and Pharmacology·J S Millership, A D Woolfson
May 19, 2010·International Journal of Molecular Sciences·Zuojing LiFanhao Meng
Jun 1, 2006·Expert Opinion on Drug Discovery·John C Dearden
Dec 1, 1976·Journal of Pharmaceutical Sciences·L B Kier, L H Hall
Aug 1, 1976·Journal of Pharmaceutical Sciences·L B KierL H Hall
Apr 1, 1992·Journal of Pharmaceutical Sciences·L Pogliani
Jun 5, 2007·Journal of Pharmaceutical Sciences·Lionello Pogliani
Dec 23, 2009·International Journal of Pharmaceutics·K M YerramsettyK A M Gasem
Jul 13, 2007·Journal of Pharmaceutical Sciences·Taravat GhafourianAli Nokhodchi
Mar 1, 1982·The Journal of Pharmacy and Pharmacology·J C BoydA D Woolfson
Mar 21, 2007·Journal of Chemical Information and Modeling·Alexandru T BalabanOvidiu Ivanciuc
Aug 24, 2000·Journal of Chemical Information and Computer Sciences·M Randic, S C Basak
Aug 24, 2000·Journal of Chemical Information and Computer Sciences·D Bonchev
Aug 24, 2000·Journal of Chemical Information and Computer Sciences·H E McClelland, P C Jurs
Jan 24, 2007·Journal of Chemical Information and Modeling·Tingjun HouXiaojie Xu
Mar 13, 2010·Journal of Agricultural and Food Chemistry·Anne TromelinElisabeth Guichard
Oct 14, 2010·Chemical Reviews·Milan RandićDejan Plavsić
Dec 29, 2000·Journal of Chemical Information and Computer Sciences·X GironésR Carbó-Dorca
Mar 28, 2006·Journal of Chemical Information and Modeling·Scott OloffAlexander Tropsha
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Nov 26, 2002·Journal of Chemical Information and Computer Sciences·Yu-Hua QiLu Xu
Jun 21, 2001·Journal of Chemical Information and Computer Sciences·D Bonchev
Oct 18, 2001·Journal of Chemical Information and Computer Sciences·M Murcia-SolerT M Garrigues

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