MOL to SMILES Converter
In short: Paste MOL/SDF content and convert to SMILES online. It is free, works in your web browser and needs no download.
Paste, upload, or import a MOL/SDF block from PubChem, then convert it to SMILES. This tool attempts PubChem conversion first, then falls back to NCI Cactus when possible.
Paste MOL/SDF content, upload a file, or import a 2D SDF record from PubChem.
Input and output formats
| Input: MOL file | Output: SMILES | |
|---|---|---|
| Full name | MOL file (MDL Molfile) | SMILES (Simplified Molecular Input Line Entry System) |
| What it holds | An atom list with 2D or 3D coordinates and a bond table for one molecule. | Atoms, bonds, rings, charges and stereo as one line of text. No coordinates. |
| File or form | .mol | .smi or plain text |
File Format Explained
MOL and SDF files store atom and bond blocks, often with 2D or 3D coordinates. They are useful for editable structure exchange and compound data records.
SMILES converts that structure into a compact one-line text notation. It is useful for search, identifiers, scripts, and web tools.
When converting MOL or SDF to SMILES, check stereochemistry, charges, salts, and aromaticity. Some coordinate or property data from the source file will not be preserved in SMILES.
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