Table 5.
List of parameters of the revised group contribution method.
| Conjugate descriptor | Ring | Non-ring | ||
|---|---|---|---|---|
| Descriptor | ||||
| A | N1(ortho-) | >C= | -OH | -OH(ph) |
| B | N1(meta-) | -CH= | -NH2 | -NH2(ph) |
| N1(para-) | -N= | -C=O(-N<) | -C=O(-N<) (ph) | |
| N2(α) | >N+= | -N< | -N<(ph) | |
| N2(β) | -CH2- | >C< | -CH3 | |
| N3(α) | -HC< | -S- | -S-(ph) | |
| N3(β) | >C< | -O- | -O-(ph) | |
| N3(γ) | -O- | -F | -F(ph) | |
| Ar-Ar | >C=O | -Cl | -Cl(ph) | |
| Ar-R | -N< | -Br | -Br(ph) | |
| -NH- | -C=O | -OCO-(ph) | ||
| -S- | -I | -I(ph) | ||
| -COO- | -COOH | -COO- | ||
| >C=C<(1) | -NO2 | -C≡N | ||
| >C=C<(2) | -N<(C=O) | -N<(C=O) (ph) | ||
| -SO2 | -SO2(-N<) | |||