SMILES (simplified molecular-input line-entry system) is a common method of specifying the structure of a molecule by arranging letters representing an atomic element into a string. MOL (or MDL Molfile) is a chemical table file similarly used to reflect the chemical structure of a molecule. A MOL file contains the atoms in a molecule with their specified coordinates, as well as the bonds that each has to one another.
This tool will convert a SMILES-formatted string or .smi file into a .mol file, or a MOL-formatted string, .mol file, or .mdl file into an .smi file.
1. Select a conversion method | SMILES to MOL |
2. Upload a smi file or paste contents directly into the box | |
3. Conversion results |
MLA | "Quest Calculate™ SMILES to MOL Converter." AAT Bioquest, Inc., 6 Oct. 2025, https://www.aatbio.com/tools/smiles-to-mol-converter. | |
APA | AAT Bioquest, Inc. (2025, October 6). Quest Calculate™ SMILES to MOL Converter. AAT Bioquest. https://www.aatbio.com/tools/smiles-to-mol-converter. | |
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