| Identity | Select any number of elements and/or wildcards.
Any (a)!Hydrogen (r)Heteroatom (q)
Halide (x)Metal (m) |
NOT |
|
| Aromatic
(A) | Specifies that the matched atom should be aromatic. Use the NOT modifier to specify not aromatic or anti-aromatic. |
NOT |
| Charge
(C) | Defines the allowed charge for the matched atom.
|
NOT |
| Hydrogens
(H) | Defines the total number of hydrogens attached to the atom, implicit and explicit.
|
NOT |
| Ring Count
(R) | Defines the total number of rings this atom is a member of. (SSSR)
|
NOT |
| Saturation
(S) | Specifies that the matched atom should be saturated. Use the NOT modifier to specify unsaturation. |
NOT |
| Connectivity
(X) | Defines the total number of bonds connected to the atom, including all hydrogens.
|
NOT |
| Connectivity (No H)
(x) | Defines the total number of bonds connected to the atom, excluding all hydrogens.
|
NOT |
| Chirality
(@) | Defines the stereochemical configuration of the atom. |
NOT |
