Atom Menu

This menu contains all atom related properties such as charge, atom radicals, maps, and many more.

Stereo > R/S > Off

Removes the absolute stereo configuration from a chiral atom along with the marking wedge bond.

Stereo > R/S > R

Sets the absolute stereo configuration on a chiral atom to R, marking it with wedge bond.

Stereo > R/S > S

Sets the absolute stereo configuration on a chiral atom to S, marking it with wedge bond.

Stereo > Reaction > Off

Sets the stereo configuration of the atom not to be considered during the reaction.

Stereo > Reaction > Inversion

Sets the stereo configuration of the atom to be inverted during the reaction.

Stereo > Reaction > Retention

Sets the stereo configuration of the atom to be retained during the reaction.

Stereo > Enhanced

See Stereo documentation for details.

Charge

Allows you to change the charge of any atom between [-128, 128]. The number of implicit hydrogens will be adjusted if possible to accommodate the new charge. Valence errors will be highlighted in red.

Valence

Allows you to change the valence of any atom between [0, 8].

Radical > Off

Removes the radical designation from an atom.

Radical > Monovalent

Sets Monovalent radical center.

Radical > Divalent

Sets Divalent radical center.

Radical > Divalent Singlet

Sets Divalent radical center with singlet electronic configuration.

Radical > Divalent Triplet

Sets Divalent radical center with triplet electronic configuration.

Radical > Trivalent

Sets Trivalent radical center.

Radical > Trivalent Doublet

Sets Trivalent radical center with doublet electronic configuration.

Radical > Trivalent Quartet

Sets Trivalent radical center with quartet electronic configuration.

Isotope

Sets or changes the isotope number of the selected element, or resets the default atom (no isotope) when it is set to Off.

Map

Sets map labels/identifiers on the selected atoms that do not change while altering the molecule. They are useful when dealing with reactions, and can be saved in SMILES and MDL formats.

R-group

Changes the selected atom to an R-group label. R-groups symbolize alternative substituents.

R-group Attachment

The selected atom becomes the attachment point for the substituent.

R-group Attachment Order

Changes the order (numbering) of the attachment points.

Link Node

Specifies query structures containing rings or chains of variable size.

Periodic Table

Shows Periodic Table and query/atom property drawing window.

Edit Properties

Specifies the property of an atom.

Add S-group attachment

Creates an attachment point on the selected atom of an S-group.

Remove S-group attachment

Removes the highest-numbered attachment point from an atom of an S-group.