Compounds management

How to look for the information a specific compound?

Use the Compound searcher box, which is located below the main menu, to look for any chemical compound. Start typing the code or name of any compound and a list of possible hits will be displayed. Once you find the desired compound, simply click on it and all the available information will be presented.

How to inspect a molecular structure?

In any screen where you see a molecular structure, you can click on it to obtain a larger display and zoom in.

How to consult the properties of any reagent or product?
  • Locate the reaction that you wish and select it.
  • Right-click on the reagent or product of the reaction and select the Show properties option.
How to save a specific compound into the compounds library?

If this compound is present as a reagent or product in any reaction of the scheme:

  • Locate such reaction and select it.
  • Go to the Compounds tab and click on Save reagent or Save product.
  • In the screen that will appear, enter as many complementary data as you wish for that compound.
  • Click on Save.

Contrary, if none of the reactions contains the compound as the reagent or product:

  • Click on the Save new compound buttonof the Utilities tab.
  • Click on Define new structure and enter the molecular structure of the compound that you wish to save.
  • Enter a code and name for that compound, as well as all the properties that you wish.
  • Click on Save.

After saving the compound, it will be stored in your own compounds library and all its details will be accessible from everywhere in the program.

How to manage your compounds library?
  • Click on the Compounds library button of the Utilities tab.
  • In the screen that will appear, you are able to add a new compound into the compounds library, edit or delete an existing one, as well as to consult the properties.
How to prepare a report with the properties of a compound?
  • Go to the Compounds tab, select Compounds report and click on Generate.
  • In the screen that will appear, look for the compounds you wish and transfer them from the left list to the right one. Note that you can include more compounds that the ones displayed initially by typing their name/code in the Search box.
  • Confirm the operation by clicking on Print and specify the path where you want the document to be released.