Complete Guide to All MolDraw Free Chemistry Tools
This is the full linked directory of every free MolDraw chemistry tool—converters, calculators, drawing utilities, and teaching resources. Use it as a quick reference or share it on other sites with attribution to MolDraw.
Quick guide: how to use MolDraw tools
MolDraw is a free browser chemistry platform. You do not need to install software for most workflows.
- Draw or edit a structure — open the MolDraw editor for 2D drawing, 3D viewing, SMILES export, and downloads.
- Browse all tools — start at the Tools Hub or the free chemistry tools directory.
- Pick the tool that matches your input — SMILES, name, formula, XYZ coordinates, CAS number, MOL/SDF block, etc.
- Convert or calculate — run the tool in the browser, then copy the result or download the file.
- Return to the editor — many tools link back to MolDraw when you want to edit the structure further.
Best for: students, educators, lab teams, and researchers who need quick chemistry utilities without desktop software.
MolDraw editorDraw, view 3D, export formatsOpen editor →
Tools HubBrowse every tool categoryOpen hub →
Tools directoryIndexed tool URLsOpen directory →
Shorter tools guideGrouped overview articleRead guide →
Drawing and structure tools
| Tool | What it does | Link |
|---|---|---|
| MolDraw editor | 2D drawing, 3D viewing, name search, PNG/SVG/SDF/XYZ/PDB export | Open |
| Chemical reaction drawer | Draw reactions with reactants, products, arrows, reagents, conditions | Open |
| SMILES to structure | Paste SMILES and visualize 2D structure | Open |
| Structure to SMILES | Draw in 2D editor and get SMILES in real time | Open |
| SMILES to 3D structure | 3D view plus PNG, SDF, XYZ, PDB, MOL, OBJ, X3D download | Open |
| XYZ / Gaussian to 2D | Convert XYZ, .gjf, or .com coordinates to inferred 2D structure | Open |
| XYZ to SMILES | Convert XYZ coordinates to SMILES with editable cleanup | Open |
| Name to structure | Resolve names to 2D structure, SMILES, formula, MW, PubChem CID | Open |
| Formula to structure | Search formulas like C9H8O4 and compare PubChem candidates | Open |
| Lewis structure generator | Build Lewis dot structures from formula and charge | Open |
| Protein viewer | Load proteins by PDB ID or file; export formats | Open |
SMILES, MOL, SDF, PDB, and file converters
| Tool | What it does | Link |
|---|---|---|
| SMILES to MOL | Convert SMILES to MOL for editor/ELN workflows | Open |
| SMILES to SDF | Generate SDF from SMILES for datasets | Open |
| SMILES to MOL2 | Convert SMILES to MOL2 for docking prep | Open |
| SMILES to PDB | Convert SMILES to downloadable 3D PDB | Open |
| SMILES to PDBQT | Convert SMILES to PDBQT for docking | Open |
| MOL to SMILES | Convert MOL/SDF blocks to SMILES | Open |
| MOL2 to SMILES | Convert MOL2 ligand blocks to SMILES | Open |
| PDB to SMILES | Convert ligand PDB text to SMILES | Open |
| PDB to PDBQT | Transform PDB coordinates to PDBQT | Open |
| SDF to InChI | Convert SDF/MOL blocks to InChI | Open |
| SDF to InChIKey | Generate InChIKey from SDF/MOL blocks | Open |
| MOL to InChI | Convert MOL/SDF to InChI | Open |
| MOL to InChIKey | Convert MOL/SDF to InChIKey | Open |
InChI, InChIKey, IUPAC, CID, and CAS tools
| Tool | What it does | Link |
|---|---|---|
| SMILES to InChI | Generate InChI from SMILES | Open |
| SMILES to InChIKey | Convert SMILES to InChIKey | Open |
| InChI to SMILES | Convert InChI back to SMILES | Open |
| InChIKey to SMILES | Resolve InChIKey to SMILES | Open |
| InChI to InChIKey | Convert full InChI to InChIKey | Open |
| InChIKey to InChI | Resolve InChIKey to full InChI | Open |
| IUPAC to SMILES | Convert systematic names to SMILES | Open |
| SMILES to IUPAC | Generate IUPAC names from SMILES | Open |
| CID to SMILES | Resolve PubChem CIDs to SMILES | Open |
| CAS to SMILES | Convert CAS numbers to SMILES with metadata | Open |
| CAS to structure | Look up CAS and show 2D structure with SMILES and CID | Open |
Formula, mass, and spectroscopy tools
| Tool | What it does | Link |
|---|---|---|
| Formula and mass tools | Hub page for formula and mass utilities | Open |
| Molecular weight calculator | MW, molar mass, element breakdown, percent composition | Open |
| SMILES to molecular formula | Convert SMILES to molecular formula | Open |
| SMILES to molecular weight | Calculate MW from SMILES with metadata | Open |
| Exact mass calculator | Monoisotopic exact mass from formula | Open |
| Mass spectrum predictor | Predict isotope pattern and molecular ion region | Open |
| Grams to moles calculator | Convert grams ↔ moles using molar mass | Open |
Lab, stoichiometry, and solution calculators
| Tool | What it does | Link |
|---|---|---|
| Molarity calculator | Molarity from mass, MW, and volume | Open |
| Molality calculator | Molality from solute amount and solvent mass | Open |
| Dilution calculator | C1V1 = C2V2 for stock and solvent volumes | Open |
| Solution prep calculator | Solute mass for target molarity and final volume | Open |
| Chemical equation balancer | Balance equations with presets and guidance | Open |
| Limiting reagent calculator | Limiting reactant, excess, leftover, theoretical yield | Open |
| Percent yield calculator | Percent yield, actual yield, or theoretical yield | Open |
| pH calculator | pH, pOH, strong acid/base, buffer, and pKa helpers | Open |
| pKa calculator | pKa from pH, pH from pKa, Henderson–Hasselbalch | Open |
Druglikeness and medicinal chemistry tools
| Tool | What it does | Link |
|---|---|---|
| Lipinski rule calculator | Rule of Five: MW, LogP, HBD, HBA from SMILES or name | Open |
| Druglikeness calculator | Lipinski + Veber-style druglikeness score | Open |
| LogP calculator | PubChem XLogP from SMILES or compound name | Open |
| TPSA calculator | Topological polar surface area from SMILES or name | Open |
Teaching and reference tools
| Tool | What it does | Link |
|---|---|---|
| Interactive periodic table | Search all 118 elements with configuration, phase, and mass | Open |
| TLC diagram tool | Draw TLC plates with lanes, spots, Rf labels, and export | Open |
| MolDraw course | Interactive chemistry course | Open |
| Molecule reference pages | Caffeine, aspirin, ibuprofen, glucose, and more | Open |
| Reaction guide pages | Aldol, Wittig, Grignard, Suzuki, Heck, Diels–Alder, and more | Open |
Suggested workflows
Student or classroom
- Draw structures: MolDraw editor
- Balance equations: Chemical equation balancer
- Lab math: Molarity, Dilution, Percent yield
- TLC reports: TLC diagram tool
- Periodic table: Interactive periodic table
Research or cheminformatics
- Identifier cleanup: SMILES ↔ InChI ↔ InChIKey converters
- Registry lookup: CAS to structure, CID to SMILES
- Docking prep: SMILES to PDBQT, PDB to PDBQT
- Early ADME triage: Lipinski, LogP, TPSA
Computational chemistry
- Coordinates back to 2D: XYZ / Gaussian to 2D structure
- Coordinates to SMILES: XYZ to SMILES
- 3D export: SMILES to 3D structure
FAQ
Are MolDraw tools free?
Yes. The browser tools and calculators listed here are free to use at moldraw.com.
Do I need an account?
No account is required for most tools. The main editor and calculators work in the browser. Some community features need sign-in.
What is the fastest way to find a tool?
Use the Tools Hub or search this guide by input type (SMILES, name, formula, XYZ, CAS, etc.).
Can I republish this list on another site?
Yes, with attribution to MolDraw by Scidart Academy. A markdown version is also available in the MolDraw repository for external publishing.