ACD/ChemSketch—Draw Chemical Structures and Generate IUPAC Names

A Complete Software Package for Drawing Chemical Structures

ACD/ChemSketch: Draw Chemical Structures and Generate IUPAC Names

ACD/ChemSketch is a chemically intelligent drawing interface that allows you to draw almost any chemical structure including organics, organometallics, polymers, and Markush structures. Use it to produce professional looking structures and diagrams for reports and publications.

Features

  • Draw and view structures in 2D, or render in 3D to view from any angle
  • Draw reactions and reaction schemes, and calculate reactant quantities
  • Generate structures from InChI and SMILES strings
  • Generate IUPAC systematic names for molecules of up to 50 atoms and 3 ring structures
  • Predict logP for individual structures
  • Search for structures in the built-in dictionary of over 165,000 systematic, trivial, and trade names

Benefits

  • Visualize chemical structures in 2D or 3D to gain more insight into spatial configurations, and relationships to molecular properties
  • Create professional reports, working with structures, text, and graphics simultaneously

ACD/ChemSketch also allows you to check other tautomeric forms for your drawn structure. Consideration of tautomeric forms is very important for structure searching, predictions (such as physicochemical properties, i.e., pKa), and interpretation (i.e., of NMR, MS, and other analytical data).

Additional Resources

Import and export structure files in a variety of standard file formats.

Vendor File Format
ACD/Labs *.sk2
Adobe Acrobat (output only) *.pdf
Symyx *.mol, *.sdf, *.rxn
ChemDraw *.chm, *.cdx
ISIS Sketch *.skc
InChI  
SMILES  
Chemical Markup Language (output only) *.cml
GIF image format *.gif
PNG image format *.png
JPG image format (input only) *.jpg
Windows Bitmap *.bmp, *.dib
Paintbrush (output only) *.pcx
TIFF Bitmap (output only) *.tif
HTML (output only) *.html
Windows Metafile *.wmf
ChemSketch 1.0 (input only) *.mst, *.rtp
  1. Some file formats require the installation of ChemBasic Goodies, a separate download and installation for freeware users
  2. You can still input structures from unsupported formats by opening the file with another program and pasting it into ACD/ChemSketch as an OLE object

See some examples of molecules drawn with ACD/ChemSketch

Create Markush structures with variable substitutions Create Markush structures with variable substitutions
Special Markush structures with added adn removed mass values or fragments Special Markush structures with added adn removed mass values or fragments
Draw complex coordination organometallics Draw complex coordination organometallics
Show aromaticity and 3D perspective Show aromaticity and 3D perspective
Nucleotide and many other biochemical templates are available Nucleotide and many other biochemical templates are available
Draw molecular orbital diagrams with ease Draw molecular orbital diagrams with ease

Full List of Features

Components of ACD/ChemSketch