Welcome to WebCocon 4J

Alternative Constitutions
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The computer program WebCocon 4J allows chemists to comprehensively discuss the entirety of constitutions compatible with the 2D NMR data of compounds with known molecular formulae. WebCocon 4J is able to interpret HMBC correlations as 2, 3, or 4 bond connectivities ( 4J only in combination with 1 sphere Hose Codes). Please expect WebCocon runs taking 4J correlations into account to take considerably longer then normal runs and generate significantly more results!

In particular, WebCocon 4J is useful when searching for alternatives of structural proposals. After generation of the theoretical correlation data WebCocon will generate all constitutions that fit this data.

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Latest Improvement

WebCocon now uses mengine to generate simple 3D coordinates for the constitutions generated. Mengine has been used on the 17M compounds contained in the PubChem database. Hence, when it fails because of "missing parameters" the constitutions can be considered extremely unlikely, and might optionally be excluded from the list of results.


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© Team Cocon: Jochen Junker, Matthias Köck, Thomas Lindel