XDrawChem

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XDrawChem 1.9.9
Stable release	1.10.2 / January 9, 2017; 7 years ago (2017-01-09)
Molecular editor
License	GNU GPL

XDrawChem is a

• Fixed length and fixed angle drawing
• Automatic alignment of figures
• Detection of structures, text, and arrows, and their automatic 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
  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 pK_a, octanol-water partition coefficient, and gas-phase enthalpy change.

See also

• ChemDraw – popular, proprietary chemical editor

References

External links

• XDrawChem at SourceForge