Molecule Search

Use this form to find a species from its adjacency list. You can quickly fill in the adjacency list part of the form by entering any species identifier, such as a SMILES, InChI, CAS number, or species name in the 'species identifier' field and pressing tab. This is translated into an adjacency list using the NCI Chemical Identifier Resolver. Do not submit the form until the adjacency list has loaded.

You may use the "Structure Input" function to draw a molecular structure which will be converted to an adjacency list. Please note that this functionality is currently in beta, so there may be structures which cannot be correctly converted to an adjacency list. In particular, lone pairs must be drawn explicitly for the time being.