Adding query properties to structures.
Name | Description |
---|---|
.H+ | Increase number of total hydrogens (total number of hydrogen substituents) |
.H- | Decrease number of total hydrogens (total number of hydrogen substituents) |
.v+ | Increase number of valence (total bond order) |
.v- | Decrease number of valence (total bond order) |
.X+ | Increase number of connections (number of substituents including hydrogens) |
.X- | Decrease number of connections (number of substituents including hydrogens) |
.R- | Increase number of rings (number of rings the atom is a member of) |
.R+ | Decrease number of rings (number of rings the atom is a member of) |
.r+ | Increase smallest ring size (size of the smallest ring the atom is a member of) |
.r- | Decrease smallest ring size (size of the smallest ring the atom is a member of) |
.rb+ | Increase ring bond count (number of ring bonds next to the atom) |
.rb- | Decrease ring bond count (number of ring bonds next to the atom) |
.s+ | Increase substitution count (number of non-hydrogen and isotopic hydrogen substituents) |
.s- | Decrease substitution count (number of non-hydrogen and isotopic hydrogen substituents) |
.h+ | Increase number of implicit hydrogens (number of implicit hydrogen substituents) |
.h- | Decrease number of implicit hydrogens (number of implicit hydrogen substituents) |
.D+ | Increase degree (equivalent to substitution count: number of non-hydrogen and isotopic hydrogen substituents) |
.D- | Decrease degree (equivalent to substitution count: number of non-hydrogen and isotopic hydrogen substituents) |
.u | Mark as unsaturated atom (atom has double, triple or aromatic bond) |
.a/A | Mark as aromatic/aliphatic (has aromatic bond) |