Calculate the count of sp3 hybridized carbons in a molecule

Hi All,

Can you please let me know if there is a way to calculate the count of spn hybridized carbons in a molecule?


Here’s a component I created to calculate the number of sp, sp2, and sp3 carbons:


With the JChem Extensions, you can use a Chemical Terms node with the expression
… to calculate the number of sp3 carbons. The expression in quotes is the SMARTS notation for a carbon atom (element 6) with 4 attachments. Likewise matchCount("[$6;X3]") will return the number of sp2 carbons, etc.

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