Image

For more information about the structure display options, see Structure Display Options.

Display Options: Rendering

JCBallStickImage

Displays the structure with Ball and Stink rendering.

JCSpaceFillImage

Displays the structure with Spacefill rendering.

Display Options: Misc

JCAtomNumberImage

Displays atom numbers with the structure.

JCBondLengthImage

Displays bond lengths with the structure.

JCGraphInvariantImage

Displays graph invariants with the structure.

JCLonePairImage

Displays lone pairs (valence electron pairs without bonding or sharing with other atoms) with the structure.

Plugins

JCChargeImage

Displays the partial charge value of each atom.

JCHBDAImage

Displays atomic hydrogen bond donor and acceptor multiplicity.

JCHuckelAnalysisImage

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.

JClogPImage

Atomic contribution to logP.

JCOrbitalElectroNegativityImage

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.

JCpKaImage

Displays the pKa values of all proton gaining or losing atoms based on the partial charge distribution.

JCPolarizabilityImage

Displays atomic polarizability values.

JCRefractivityImage

Displays refractivity values with the structure.

JCStericHindranceImage

Returns steric hindrance values on each atom in the image of the input molecule.

JCStericEffectImage

Returns steric effect index values on each atom in the image of the input molecule.