Hack-a-Mol

This page is designed especially for students of cheminformatics who are just starting to learn about how chemical structures are represented digitally.

With this page you can draw a structure in 2D, compare that with its 3D structure, and also see its structural data in a variety of formats. You can also enter a chemical identifier -- a chemical name, a SMILES string, or a Chemical Abstracts Registry Number, for instance -- in the box under the JSmol window.

If you hack the structural data (carefully!) and then press ENTER, the 2D and 3D structures will update.

You can also drag-drop a structure file into the JSmol window or copy/paste it into the textarea.

How It Works

Author: Bob Hanson
 

  labels console        info clear no info
InChI:
InChIKey:
SMILES:
 Modify the data and press ENTER to see changes above.    UNDO