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PubChem lookup

The PubChem Lookup Tool allows users to search and retrieve safety information about chemical compounds based on their chemical structure.

To search for a chemical structure, simply draw it using the chemical structure editor provided. Once you have drawn the structure, click on the Search PubChem button. The structure, encoded as a SMILES string, will be searched on PubChem, and the tool will retrieve information concerning safety, computed properties, and experimental data.

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The tool displays the search results in four tabs:

  • GHS: This tab displays a combination of all the safety information submitted to PubChem. The safety information is presented in a concise and easy-to-read format.

  • GHS Detailed: This tab provides more detailed information about the safety of the compound. The different providers of the safety information are listed, as well as the specific information they have submitted.

  • Computed: This tab contains information about the chemical structure that has been computed by PubChem. For example, it displays the number of hydrogen bond donors or acceptors.

  • Experimental: This tab contains physical information measured by different groups, such as the boiling point and the melting point.

  • Identifiers: This tab provides more information about the compound, including the molecular formula, the canonical SMILES code, and the InChI and InChIKey.