For more information about the structure display options, see Structure Display Options.
Display Options: Rendering
Displays the structure with Ball and Stink rendering.
Displays the structure with Spacefill rendering.
Display Options: Misc
Displays atom numbers with the structure.
Displays bond lengths with the structure.
Displays graph invariants with the structure.
Displays lone pairs (valence electron pairs without bonding or sharing with other atoms) with the structure.
Displays the partial charge value of each atom.
Displays atomic hydrogen bond donor and acceptor multiplicity.
Localization energies L(+) and L(-) for electrophilic and nucleophilic attack at an aromatic center are calculated by the Huckel method. The smaller L(+) or L(-) means a more reactive atomic location. Order of atoms in E(+) or Nu(-) attack are adjusted according to their localization energies.
The total pi energy, the pi-electron density, and the total electron density are also calculated by the Huckel method.
Atomic contribution to logP.
Orbital electronegativity is the measure of the ability of atoms to attract electrons in the context of chemical bonds and is calculated from the partial charge distribution of atoms.
Displays the pKa values of all proton gaining or losing atoms based on the partial charge distribution.
Displays atomic polarizability values.
Displays refractivity values with the structure.
Returns steric hindrance values on each atom in the image of the input molecule.
Returns steric effect index values on each atom in the image of the input molecule.