Predict by Textual Identifier
Examples of Chemical Identifiers:
  • Chemical Name : ethanol | formaldehyde
  • Registry Number : 110-00-9 | 50-00-0
  • SMILES : c1ccoc1 | CC(C)=O
  • (Standard) InChI : InChI=1S/C4H4O/c1-2-4-5-3-1/h1-4H
  • Standard InChIKey : InChIKey=YLQBMQCUIZJEEH-UHFFFAOYSA-N
Predict by 2D structure
Structure editor is Ketcher from GGA software.
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