XDrawChem is a program for drawing chemical
structures. Features include fixed length and
fixed angle drawing, a ring tool to automatically
draw rings, automatic alignment of structures in
reactions, 2D structure diagram generation, and 3D
structure conversion. It can access structures in
the PubChem compound database by name, CAS number,
or formula. It can output InChI for structures and
search the database by structure. It can predict
1H NMR, 13C NMR, simple IR spectra, and estimated
pKa. XDrawChem can work with its native file
format, ChemDraw files, and any format supported
by OpenBabel (MDL Molfile, CML, etc.).
