SMILES to InChIKey Converter
Skip the InChI step and go straight from SMILES to the fixed-length InChIKey used by PubChem, ChEMBL and Wikidata.
One line, one key
The InChIKey is always 27 characters: 14 for the connectivity block, 8 for stereochemistry, charge and isotopes, and a final check character. That fixed width makes it cheap to index and safe to put in a URL — unlike a full InChI, which can be hundreds of characters.
What it is good for
- Looking a compound up in PubChem or ChEMBL
- Deduplicating a structure library
- Referencing a structure in a ticket, paper or chat message
What it cannot do
It is a hash, so it is one-way. Two different molecules producing the same key is astronomically unlikely, but you can never recover a structure from a key — always keep the SMILES or InChI.