Free Chemistry Tools and Calculators

MolDraw includes a growing tools hub for chemistry students, educators, researchers, and lab teams. This guide links the most useful converters, calculators, structure utilities, and teaching tools in one SEO-friendly reference page.

Published: 6 Jun 2026 · Category: Tools · Publisher: Scidart Academy

Overview

Use the MolDraw Tools Hub when you need quick chemistry utilities without leaving the browser. The tools are grouped around common workflows: converting identifiers, preparing solutions, drawing structures, balancing equations, making TLC diagrams, and checking periodic table data.

Short answer: MolDraw tools cover chemistry converters, concentration calculators, structure utilities, periodic table lookup, TLC diagrams, and file-format helpers for everyday chemistry work. For the full linked list of every tool, see the complete MolDraw tools guide.

Chemistry Converters

Converter pages help move between common chemical identifiers and file formats. They are useful when a database, notebook, docking workflow, or drawing tool expects a specific format.

SMILES and structure converters

Convert between SMILES, 2D structures, XYZ/Gaussian coordinates, MOL, SDF, MOL2, PDB, and PDBQT formats.

SMILES to structure SMILES to 3D XYZ / Gaussian to 2D SMILES to MOL SMILES to SDF SMILES to PDB SMILES to PDBQT

Identifier converters

Resolve and convert InChI, InChIKey, IUPAC, CID, compound names, formulas, and SMILES identifiers.

Name to structure Formula to structure search SMILES to InChI SMILES to InChIKey InChI to SMILES InChIKey to SMILES IUPAC to SMILES SMILES to IUPAC CID to SMILES

Chemistry Calculators

Calculator tools support routine classroom and wet-lab calculations such as molarity, molality, dilution, formula mass, stoichiometry, druglikeness property checks, and solution preparation.

Formula and mass tool cluster

Use these tools when you need molecular formula, molecular weight, molar mass, monoisotopic exact mass, or isotope pattern prediction from a formula or SMILES string.

Formula and mass tools Molecular weight calculator SMILES to molecular formula SMILES to molecular weight Exact mass calculator Mass spectrum predictor Grams to moles calculator Formula to structure search
Molarity calculator Molality calculator Dilution calculator Solution preparation calculator Chemical equation balancer Limiting reagent calculator Percent yield calculator pH calculator pKa calculator

Druglikeness and property calculators

Use these pages for early medicinal chemistry triage from SMILES or compound names: Lipinski Rule of Five, combined druglikeness, LogP, and TPSA.

Lipinski rule calculator Druglikeness calculator LogP calculator TPSA calculator

Drawing and Structure Tools

The main MolDraw editor is the fastest route for drawing molecules, visualizing 3D structures, and exporting chemistry formats. Use the chemical reaction drawer when you need to draw chemical reactions online with reactants, products, arrows, reagents, and conditions. The linked tools support format conversion, structure lookup, XYZ to SMILES conversion, and downstream workflows.

MolDraw editor Chemical reaction drawer Tools hub Free chemistry tools directory Lewis structure generator XYZ to SMILES converter Protein viewer Molecule reference pages Reaction guide pages

Learning and Classroom Tools

MolDraw also includes teaching-friendly pages for chemical structure drawing, reaction examples, TLC diagrams, and periodic table lookup.

TLC diagram tool Interactive periodic table MolDraw course How to add lone pairs Chemical drawing guide Chemistry drawing guide

FAQ

What is the best starting point?

Start with the Tools Hub for browsing, or open the MolDraw editor if you already have a molecule to draw or paste.

Are these tools free?

Yes. MolDraw’s core browser-based tools and calculators are free to use.

Which tool should I use for a molecule identifier?

Use SMILES, InChI, InChIKey, IUPAC, and CID converter pages depending on the identifier you have and the format you need.