SMILES to 3D Structure Converter
In short: Convert SMILES to an interactive 3D structure. It is free, works in your web browser and needs no download.
Paste a SMILES string, generate a 3D structure with lightweight 3Dmol.js, and download in major image and structure formats.
SMILES Input
3D Structure Output
Input and output formats
| Input: SMILES | Output: 3D structure | |
|---|---|---|
| Full name | SMILES (Simplified Molecular Input Line Entry System) | 3D structure |
| What it holds | Atoms, bonds, rings, charges and stereo as one line of text. No coordinates. | A model with x, y, z coordinates for every atom, shown as a rotatable view. |
| File or form | .smi or plain text | On screen, with file downloads |
File Format Explained
SMILES is a compact text representation of molecular connectivity. It is excellent for input, search, and database workflows, but it does not directly store a final 3D conformation.
3D structure formats such as SDF, XYZ, PDB, MOL, OBJ, and X3D store coordinates or renderable geometry. SDF and PDB are chemistry coordinate formats, XYZ is a simple atom-coordinate table, and OBJ/X3D are 3D model formats for visualization workflows. Use the XYZ / Gaussian to 2D converter when you need to turn coordinate files back into an inferred 2D drawing. To predict the VSEPR shape, bond angles and hybridization around a central atom, try the VSEPR molecular geometry calculator.
Generated 3D coordinates are useful for visualization and teaching. For docking, quantum chemistry, or publication-quality geometry, validate protonation, stereochemistry, conformer quality, and force-field optimization.
Need a figure for your report? Draw chemical structures online with MolDraw, a free online ChemDraw alternative.
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