Draw or Import a Structure

Draw a Structure

In CAS SciFindern, you may use the following structure editors to draw structure images for use as queries:

• CAS Draw

• ChemDoodle

Using either of these tools, you may draw structures with repeating groups, R-groups, and variable attachment points.

Import a Structure

You may also import a .cxf or .mol structure file into CAS Draw and ChemDoodle.

Note: You may also perform a SciFindern structure search within ChemDraw and import a SMILES string from ChemDraw into CAS Draw.

Structure Query Features

The following structure query features are also available in CAS Draw and ChemDoodle:

• Reaction Query Features:

• Specifying Reaction Roles: Specify the reaction roles of the structures by drawing a reaction arrow.

• Marking Reaction Sites: Mark bonds that are changed (broken, formed, or change bond order) in the reaction.

• Mapping Atom Pairs: Specify corresponding pairs of atoms present in the reactant and product.

• Substructure Query Features:

• Variable Atom

• R-group

• Unspecified Bond Type

• Repeating Group

• Variable Attachment Points

• Lock Atom

• Lock Ring