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) |
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