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Topic Title: functional group count
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Created On: 8/6/2019 2:31 PM
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 8/6/2019 2:31 PM
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Joined: 8/6/2019

Is there a way to get a list of functional groups for a molecule preferably from a SMILES notation in an Excel spreadsheet? Atom types are defined in Chem3D but you have to hover over each atom to see the assigned type. Maybe there is an existing macro or function that can do this?

 8/6/2019 10:10 PM
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Posts: 691
Joined: 2/25/2009

Currently you can convert the SMILES to Structure using the "SMILES to Molecule" function present in the Convert button.

However we don't have a funciton to get the list of functional group present in the molecule. Let me pass on this information to the R&D team for future consideration.


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