Molecule editor
Draw chemical structures with the mouse or a finger: a click creates a bond, drag to aim it, and pick elements, rings and charges from the toolbar. The analysis updates while you draw.
What you can do
- Single, double and triple bonds, wedges and hashes; 3- to 8-membered rings and benzene, alone or fused.
- Any element, charges, implicit hydrogens from the valence and a warning for impossible valences.
- Molecular formula, molar mass, percent composition, degree of unsaturation, aromatic rings and stereocenters.
- Functional groups (alcohol, ketone, acid, ester, amide, amine…) highlighted in the drawing, and Lipinski's rule of five.
- Load a SMILES or a MOL file; export SMILES, MOL, SVG and PNG; tidy up the structure automatically.
- R/S configuration of stereocenters (Cahn–Ingold–Prelog rules) from wedges and hashes, and E/Z of double bonds.
- Reactions: reaction, equilibrium and resonance arrows, + signs and text; it checks whether atoms and charge are conserved and sends the equation to the balancer.
- Approximate 3D view you can rotate with the mouse, as ball and stick or space-filling, exportable as XYZ.
- Recognize the molecule in the Simuveliq database and see its isomers.
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