Default: NH₃

Molecules:

• Neutral atoms

  • Implicit hydrogens are added to have 3 bonds (if nitrogen has at least 1 bond).
    More than 3 bonds are forbidden.
    If nitrogen has 4 ligands, charge is not set, hence not accepted
    Pentavalent N is accepted in traditional form by default, but keep in mind that these forms are not correct. Use the "ylide" from of the N atom which satisfies the correct valence electron count:

    traditional form	"ylide" form

  • It's possible to accept only the "ylide" form using the MoleculeGraph.setValenceCheckOptions() function.

• Charged atoms in a molecule:

  • Positive charge:

    • 1+: 4 bonds needed (incluing implicit hydrogens)

    • 2+: 3 bonds needed (incluing implicit hydrogens)

    • 3+: 2 bonds needed (incluing implicit hydrogens)

    • 4+: 1 bonds needed (incluing implicit hydrogens)

    • 5+: 0 bonds needed (incluing implicit hydrogens)

    • 6+ or more: not allowed

  • Negative charge: Every added negative charge decreases by one the number of possible bonds. Maximum charge accepted is -3.

• Radical: Every added radical on these atoms decreases by one the number of bonds. Maximum three added radical is allowed.

• Aromatic compounds: Nitrogen may form aromatic bonds as well.

Default: PH₃, AsH₃, SbH₃, Bi

Molecules:

• Neutral atoms:

  • 1 bond: 2 implicit Hydrogens are added.

  • 2 bond: 1 implicit Hydrogen is added.

  • 3 bond: 0 implicit Hydrogen is added.

  • 4 bond: 1 implicit Hydrogen is added.

  • 5 bond: 0 implicit Hydrogen is added.

  • More than 5 bonds are forbidden

• Charged atoms in a molecule:

  • Positive charge:

    • 1+: 4 bonds are necessary (including implicit Hydrogens).

    • 2+: 3 bond is necessary (including implicit Hydrogens).

    • 3+: 2 bond is allowed.

    • 4+: 1 bond is necessary (including implicit Hydrogens).

    • 5+: 0 bond is allowed.

    • 6+ or more: not allowed

  • Negative charge: Every added negative charge decreases by one the number of possible bonds. Maximum charge accepted is -3.

• Radical: Every added radical on these atoms decreases by one the number of bonds. Maximum three added radicals are allowed.

• Aromatic compounds: Phosphorus may form aromatic bonds as well.