My watch list  


XDrawChem is a free software program for drawing chemical structural formulas, available for Windows, Unix, and Mac OS. It is distributed under the GNU GPL.

Major features

  • Fixed length and fixed angle drawing
  • Automatic alignment of figures
  • Detection of structures, text, and arrows, and their automatically placement
  • Can automatically draw rings and other structures - has all standard amino acids and nucleic acids in a built-in library
  • Retrieval of structures from a network database based on CAS number, formula, or name
  • Retrieval of information on a molecule based on a drawing
  • Symbols such as partial charge and radicals
  • Reading MDL Molfiles, CML (Chemical Markup Language), ChemDraw™ binary format, ChemDraw™ XML text format
  • Writing MDL Molfiles, CML, ChemDraw™ XML text format
  • Integration with OpenBabel, allowing XDrawChem to read and write over 20 different chemical file formats.
  • Image export in Portable Network Graphics (PNG), Windows bitmap, Encapsulated PostScript (EPS), and Scalable Vector Graphics (SVG)
  • 3D structure generation with the help of the external program BUILD3D
  • Simple spectra predictions, including 13C-NMR, 1H-NMR (based on additive rules and functional group lookup methods), and IR
  • Simple property estimation, including pKa, octanol-water partition coefficient, and gas-phase enthalpy change,
This article is licensed under the GNU Free Documentation License. It uses material from the Wikipedia article "XDrawChem". A list of authors is available in Wikipedia.
Your browser is not current. Microsoft Internet Explorer 6.0 does not support some functions on Chemie.DE