Atom in conjugated environment.
Table 1. SMARTS definitions for assigning the conjugated atom property flag
| SMARTS | Description |
|---|---|
| a | Aromatic atoms |
| *=,#*-,=*=,#* | All butadien analogues |
| [N,P,O,S]=,#*-[*;!H0] | alpha, beta unsaturated (pi effect) |
| *=,#*-[F,Cl,Br,I] | alpha, beta unsaturated (sigma effect) |
| *=,#*-[N,P,O,S;!H0] | alpha, beta unsaturated (pi effect, tautomer) |
| Next | ||
| Bibliography |