- Draw molecular structures such as organic molecules, organometallics, biomolecules, polymers, 2D and 3D structure representations, delocalized Markush structures, peptide sequences
- Edit structures to customize the chemical bond type, stereo configuration, atom type and charge, radical label, atom numbering, and more
- Easily draw reactions and complex chemical schema (including biotransformation maps)
- Label reaction arrows with specific experimental conditions
- Associate atoms in reactant to product schemes with atom-atom mapping
- Insert pre-drawn templates of amino acids, aromatics, carbohydrates, steroids, sugars, and more
- Use graphical templates to insert objects including molecular orbitals, Lewis structures, Newman projections, laboratory equipment, and more
- Generate structures from InChI or SMILES strings, or copy/paste from ChemDraw
- Search the Dictionary of >183,000 systematic, trivial, and trade names
- Generate suggested tautomeric forms of your drawn structure
- Generate all possible structures for a given Markush representation
- Produce an optimized 3D model of your 2D structure
- Import and export structure files in a variety of standard file formats.
Review the list of supported formats
- Create comprehensive reports
- Embed structures, schema, and other chemical information directly into Microsoft Word and PowerPoint documents, or any OLE-supported application
- Produce publication-ready figures for popular journals, e.g., ACS, RSC, Helvetica, and more
- Name molecular structures according to IUPAC rules *
* Generation of IUPAC names in ACD/ChemSketch is limited to structures with up to 50 atoms (restricted to H, C, N, P, O, S, F, Cl, Br, I, Li, Na, and K), 3 cycles, and 100 characters. For expanded chemical structure naming capabilities see ACD/Name.
- Predict a variety of molecular properties from structure including:
- Molecular weight
- Formula
- Formula weight
- Density
- LogP
- Percentage composition
- Molar refractivity
- Refractive index
- Molar volume
- Density
- Parachor
- Structural formula
- Surface tension
- Calculate quantities for chemical reactions and solutions
- Search files by chemical structure in ACD/Labs, FASTA, HELM, ChemDraw, BIOVIA, Adobe, and Microsoft® Word, Excel, and PowerPoint file formats
- Search for structures in EPA iCSS, PubChem, SciFindern, and eMolecules databases
- Variations in structure designation of π-complexes like ferrocenes can be searched as one in Spectrus DB
