Hackamol

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labels console info clear no info

InChI:
InChIKey:
SMILES:

File format

MOL/SDF

XYZ

PDB

CIF

Modify the data below and press ENTER to see changes above. UNDO

Hack-a-Mol

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

Here 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 the contents of a structure file and paste it into the textarea.

How It Works

Author: Bob Hanson