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Integration with OpenBabel, allowing XDrawChem to read and write over 20 different chemical file formats.Reaction analysis: gas-phase enthalpy change estimate, 1H NMR and 13C NMR comparison.Octanol-water partition coefficient estimation.1H-NMR prediction, based on additive rules and functional group lookup methods, described in Pretsch, Clerc, Seibl, Simon, “Tables of Spectral Data for Structure Determination of Organic.13C-NMR prediction, based on Bremser W, Mag.Generate 3-D structures with the help of the external program BUILD3D.Export pictures in PNG, Windows bitmap (*.bmp), Encapsulated PostScript (EPS), and Scalable Vector Graphics (SVG).

Also read and write any format supported by the current release of OpenBabel.Write MDL Molfiles, CML, ChemDraw XML text format.

Read MDL Molfiles, CML, ChemDraw binary format, ChemDraw XML text format.

Draw symbols such as partial charge, radicals, etc.

Can also retrieve information on a molecule in a drawing.

Retrieve structures from a network database based on CAS number, formula, or name.

Automatically draw rings and other structures – has all standard amino acids and nucleic acids in built-in library.

Detects structures, text, and arrows and places them automatically. Open Babel is a chemical toolbox designed to speak the many languages of chemical data.

Program to draw chemical structures