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.