How to automatically load formulas, smiles, Inchi from MOL files - LabCollector

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How to automatically load formulas, smiles, Inchi from MOL files

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In addition to the structure, it is possible to automatically obtain some information from MOL/SDF files.
Current features that can be obtained from the structure files:

– Formula
– Smiles
– InChi
– MW

Steps to follow:

  • In the module Chemical Structures, click Add New Record.
  • Choose Molecule Data tab on the left
  • Paste the MOL file content
  • Click Draw Molecule. The molecule will be drawn.

  • Click the button “Send structure to the form
  • The fields will automatically be filled

You can finish filling out the form and then save the new record.