XDrawChem

Major features

• 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, 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, Windows bitmap, Encapsulated PostScript, and Scalable Vector Graphics
• 3D structure generation with the help of the external program BUILD3D
• Simple spectra predictions, including 13C-NMR, 1H-NMR, and IR
• Simple property estimation, including pKa, octanol-water partition coefficient, and gas-phase enthalpy change.