ChemPal Documentation - v1.6.0
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    Interface PubChemProperties

    A subset of PubChem compound properties, normalized to friendly camelCase field names. Every field is optional because PUG-REST omits properties it cannot compute for a compound.

    Source

    export interface PubChemProperties {
      /** The compound's CID. */
      cid?: PubChemCID;
      /** Molecular formula, e.g. `"C3H6O"`. */
      molecularFormula?: string;
      /** Molecular weight in g/mol. PubChem returns this as a string, e.g. `"58.08"`. */
      molecularWeight?: string;
      /** IUPAC systematic name. */
      iupacName?: string;
      /** Canonical SMILES string. */
      smiles?: string;
      /** InChI string. */
      inchi?: string;
      /** InChIKey (hashed InChI). */
      inchiKey?: string;
      /** PubChem's preferred title/name for the compound. */
      title?: string;
    }
    interface PubChemProperties {
        cid?: PubChemCID;
        molecularFormula?: string;
        molecularWeight?: string;
        iupacName?: string;
        smiles?: string;
        inchi?: string;
        inchiKey?: string;
        title?: string;
    }
    Index

    Properties

    cid? molecularFormula? molecularWeight? iupacName? smiles? inchi? inchiKey? title?

    Properties

    cid?: PubChemCID

    The compound's CID.

    molecularFormula?: string

    Molecular formula, e.g. "C3H6O".

    molecularWeight?: string

    Molecular weight in g/mol. PubChem returns this as a string, e.g. "58.08".

    iupacName?: string

    IUPAC systematic name.

    smiles?: string

    Canonical SMILES string.

    inchi?: string

    InChI string.

    inchiKey?: string

    InChIKey (hashed InChI).

    title?: string

    PubChem's preferred title/name for the compound.

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