SMILES to Structure
Paste a SMILES string and visualize the 2D structure instantly using SmilesDrawer.
Open toolMolDraw Tools
All free chemistry tools now live in one central Tools Hub. Existing indexed tool URLs stay unchanged, so old bookmarks and Google results continue to work.
Use the central Tools Hub
The old free tools directory is kept for URL compatibility. Browse converters, calculators, 3D viewers, reaction drawing, TLC, and the periodic table from the main MolDraw Tools Hub.
Open MolDraw Tools HubStructure to SMILES
Draw a molecule in the 2D editor and get the SMILES string in realtime.
Open toolChemical Reaction Drawer
Draw chemical reactions online with reactants, products, arrows, reagents, conditions, and editable examples.
Open toolName to Structure
Resolve compound names to a 2D structure image, SMILES, formula, molecular weight, and PubChem CID.
Open toolMolecular Formula to Structure
Search molecular formulas such as C9H8O4 and compare multiple PubChem candidate structures.
Open toolSMILES to 3D Structure Converter
Render molecules in lightweight 3D and download PNG, JPG, SDF, XYZ, PDB, MOL, OBJ, and X3D formats.
Open toolXYZ / Gaussian to 2D Structure
Convert XYZ, Gaussian .gjf, or .com coordinate blocks into inferred 2D structure images with SVG, PNG, and MOL export.
Open toolXYZ to SMILES
Convert XYZ coordinate files into best-effort SMILES with inferred bonds and an editable cleanup canvas.
Open toolProtein Viewer (3Dmol.js)
Load proteins by PDB ID or local file, switch rendering styles, and export key file/image formats.
Open toolMOL to SMILES Converter
Convert MOL/SDF structure blocks to SMILES using a free web converter workflow.
Open toolSMILES to PDB Converter
Convert a SMILES string into a downloadable 3D PDB file for modeling workflows.
Open toolSMILES to PDBQT Converter
Convert a SMILES string to PDBQT for docking and AutoDock-style technical workflows.
Open toolPDB to PDBQT Converter
Transform raw PDB coordinate files into PDBQT format with browser-side conversion.
Open toolSMILES to InChI Converter
Generate standard InChI identifiers from SMILES strings for indexing and publication workflows.
Open toolSMILES to InChIKey Converter
Convert SMILES to compact InChIKey identifiers for database search and deduplication.
Open toolInChI to SMILES Converter
Convert InChI strings from papers and registries back into editable SMILES.
Open toolInChIKey to SMILES Converter
Resolve InChIKey values to canonical SMILES using public chemistry APIs.
Open toolSMILES to MOL Converter
Convert SMILES strings to MOL format for ELN/editor compatibility workflows.
Open toolSMILES to SDF Converter
Generate SDF output from SMILES for screening datasets and cheminformatics workflows.
Open toolPDB to SMILES Converter
Convert ligand PDB text blocks into SMILES in a best-effort conversion flow.
Open toolIUPAC Name to SMILES Converter
Convert systematic names into SMILES strings for structure-first workflows.
Open toolSMILES to IUPAC Name Converter
Generate IUPAC names from SMILES to support reports and publication writing.
Open toolMOL2 to SMILES Converter
Convert MOL2 ligand blocks to SMILES for normalization and data cleanup.
Open toolCID to SMILES Converter
Resolve PubChem CIDs to canonical SMILES using official PUG REST endpoints.
Open toolCAS Number to SMILES Converter
Convert CAS Registry Numbers to SMILES with PubChem metadata, formula, and molecular weight.
Open toolCAS Number to Structure
Look up a CAS number and display the matching 2D chemical structure with SMILES and CID.
Open toolSMILES to MOL2 Converter
Convert SMILES strings into MOL2 files for docking and ligand preparation workflows.
Open toolSDF to InChI Converter
Convert SDF/MOL structure blocks into standard InChI for indexing and data normalization.
Open toolSDF to InChIKey Converter
Generate InChIKey identifiers from pasted SDF or MOL blocks in one step.
Open toolInChI to InChIKey Converter
Convert full InChI strings into compact InChIKey values for faster search.
Open toolInChIKey to InChI Converter
Resolve InChIKey identifiers to full InChI strings using public chemistry APIs.
Open toolMOL to InChI Converter
Convert MOL/SDF text blocks into standard InChI for publication-ready identifiers.
Open toolMOL to InChIKey Converter
Convert MOL/SDF structures to compact InChIKey strings for registries and dedupe.
Open toolInteractive Periodic Table
Explore all 118 elements with searchable metadata including electron configuration, phase, and atomic mass.
Open toolSolution Prep Calculator
Compute solute mass required for your target molarity and final solution volume.
Open toolDilution Calculator
Apply C1V1=C2V2 to find stock volume and solvent volume for lab dilutions.
Open toolMolarity Calculator
Calculate molarity from mass, molecular weight, and final volume with a dedicated standalone tool page.
Open toolLimiting Reagent Calculator
Find the limiting reactant, excess reagent, leftover amounts, and theoretical yield from a balanced equation.
Open toolMolecular Weight Calculator
Calculate molecular weight, molar mass, element breakdown, and percent composition from formulas.
Open toolFormula and Mass Tools
Browse molecular weight, SMILES molecular formula, SMILES molecular weight, and exact mass tools in one cluster.
Open toolSMILES to Molecular Formula
Convert SMILES strings to molecular formula with PubChem metadata.
Open toolSMILES to Molecular Weight
Calculate molecular weight from SMILES and show formula and compound metadata.
Open toolExact Mass Calculator
Calculate monoisotopic exact mass from formulas for mass spectrometry checks.
Open toolMass Spectrum Predictor
Predict isotope pattern peaks, monoisotopic mass, average mass, and molecular ion region.
Open toolGrams to Moles Calculator
Convert grams to moles or moles to grams using formula-derived molar mass.
Open toolpH Calculator
Calculate pH, pOH, concentration, strong acid/base pH, buffer pH, and pKa values.
Open toolpKa Calculator
Calculate pKa from pH, pH from pKa, or buffer ratios with Henderson-Hasselbalch.
Open toolPercent Yield Calculator
Calculate percent yield, actual yield, or theoretical yield for chemistry labs.
Open toolLipinski Rule Calculator
Check Rule of Five properties from SMILES or compound names: molecular weight, LogP, HBD, and HBA.
Open toolDruglikeness Calculator
Calculate a simple Lipinski plus Veber-style druglikeness guideline score for compounds.
Open toolLogP Calculator
Retrieve PubChem XLogP from SMILES or compound names for quick hydrophobicity checks.
Open toolTPSA Calculator
Calculate topological polar surface area from SMILES or compound names.
Open toolLewis Structure Generator
Generate Lewis dot structures from molecular formula and charge, with SVG download.
Open toolMolality Calculator
Calculate molality from solute amount and solvent mass for quick concentration checks.
Open toolChemical Equation Balancer
Balance molecular equations by element conservation with step-by-step guidance, presets, and technical background.
Open toolTLC Diagram Tool
Create standalone TLC plate diagrams with lanes, spots, Rf labels, and export options.
Open tool