Identifier Cleaner

Convert between SMILES, InChI, InChIKey, and compound names. Supports PubChem name resolution as a fallback when the input is a common drug name.

Example: aspirin → CC(=O)Oc1ccccc1C(=O)O

Free Research Context Use this tool freely, then open the research home or demo workspace when you want project context.

Research home Demo workspace

Canonical SMILES O=C1c2ccc(F)cc2CCC1C1CCN(CCc2ccccc2)CC1

InChI

InChI=1S/C23H26FNO/c24-20-7-9-22-19(16-20)6-8-21(23(22)26)18-11-14-25(15-12-18)13-10-17-4-2-1-3-5-17/h1-5,7,9,16,18,21H,6,8,10-15H2

InChIKey PFOHALKXQIXUFE-UHFFFAOYSA-N

Molecular Weight

351.47