The Structure Drawing Form

Purpose: Create and Edit a picture of a molecule.

The purpose of the picture is to create a connectivity table for property prediction and validation. Good geometry is not required!

Available actions are: Add an Atom , Delete an Atom/Bond , Multiple bonds, Non-Carbon atoms, H atoms

NOTE 1: Upon completion, the program will assure consistency of the molecular structure with the molecular formula specified earlier.
NOTE 2:You can edit or re-draw the molecular structure using the menu item Action - Edit Molecular Structure of the Main Form.

Add an Atom

NOTE 1: All atoms are added initially as carbon atoms. They can then be changed to another desired atom.
NOTE 2: Hydrogens are assumed and do not need to be drawn.

Delete an Atom or Bond

NOTE: The number of bonds, (i.e., single, double, triple) can also be cycled from 1-to-2-to-3 by left clicking on the bond.

Add Multiple Bonds

NOTE 1: The program includes checks for erroneous connections (e.g., too few or too many bonds to a carbon atom)

NOTE 2: The number of bonds, (i.e., single, double, triple) can also be cycled from 1-to-2-to-3 by left clicking on the bond.

Add Non-Carbon Atoms

NOTE 1: Hydrogens are assumed and do not need to be drawn.

NOTE 2: The program includes checks for erroneous connections (e.g., too few or too many bonds to a carbon atom)

Hydrogens

NOTE 1: Hydrogens are assumed and do not need to be drawn.

NOTE 2: The example molecule is 2,3-dihydrobenzo[b]thiophene. Chemical Formula: C8H8S

Draw the molecular structure excluding H atoms (default hydrogen will be added to any atom, if its valence is less than the pre-defined default valence). Click to insert an atom. Click and drag to draw a bond. Click on a bond to change its order. Right-click on an atom or bond to clear it. Double-click on an atom to change the element (default element is C).

Perfect geometry is not needed, only the order of connection is used for validating and estimating thermodynamic data.