Generate SMILES or INChI from structure

Hello,

I'm using Instant JChem, and I'm wondering if there is a way to generate or display either the SMILES or INChI values for a structure I have drawn.

Haven't found this topic in Help or on the Forums.

Thank you!

Barbara

Yes, you can add a chemical terms field that generates the smiles (or InChi). See here for adding a chemical terms field:
http://www.chemaxon.com/instantjchem/ijc_latest/docs/user/help/htmlfiles/editing_database/fields_chem_terms.html

Smiles is in the favourites list.

Once you have added the field it can be displayed in either the grid or form view.

There is also an animation showing how to do this.
https://www.chemaxon.com/instant-jchem-animations/working-with-data/structure-based-predictions/

 

 

Tim

Thank you, Tim!

~Barbara