Research Article
1-(2-Chlorobenzyloxy)-3-[1,2,3]triazol-1-yl-propan-2-ol Derivatives: Synthesis, Characterization, and DFT-Based Descriptors Analysis
Table 4
Local reactivity indexes for selected atoms.
| Compound | ā | | | | |
| 7 | N1 | 0.01 | 0.04 | 0.01 | 0.06 | N2 | 0.02 | 0.08 | 0.03 | 0.12 | N3 | 0.02 | 0.04 | 0.03 | 0.06 |
| 8 | N1 | 0.00 | 0.02 | 0.00 | 0.07 | N2 | 0.01 | 0.03 | 0.03 | 0.10 | N3 | 0.02 | 0.01 | 0.07 | 0.03 |
| 9 | N1 | 0.00 | 0.04 | 0.00 | 0.14 | N2 | 0.02 | 0.08 | 0.07 | 0.29 | N3 | 0.01 | 0.04 | 0.03 | 0.14 |
| 10 | N1 | 0.01 | 0.04 | 0.03 | 0.14 | N2 | 0.02 | 0.08 | 0.07 | 0.28 | N3 | 0.02 | 0.03 | 0.07 | 0.10 |
| 12 | N1 | 0.00 | 0.03 | 0.00 | 0.11 | N2 | 0.01 | 0.10 | 0.03 | 0.37 | N3 | 0.01 | 0.04 | 0.03 | 0.14 |
| 13 | N1 | 0.01 | 0.03 | 0.04 | 0.12 | N2 | 0.02 | 0.06 | 0.08 | 0.23 | N3 | 0.00 | 0.03 | 0.00 | 0.12 |
| 14 | N1 | 0.02 | 0.01 | 0.08 | 0.13 | N2 | 0.05 | 0.03 | 0.22 | 0.27 | N3 | 0.03 | 0.02 | 0.13 | 0.13 |
| 15 | N1 | 0.01 | 0.03 | 0.04 | 0.11 | N2 | 0.03 | 0.05 | 0.11 | 0.19 | N3 | 0.02 | 0.03 | 0.07 | 0.11 |
| 16 | N1 | 0.02 | 0.02 | 0.07 | 0.07 | N2 | 0.02 | 0.03 | 0.07 | 0.11 | N3 | 0.03 | 0.04 | 0.11 | 0.15 |
| 17 | N1 | 0.00 | 0.04 | 0.00 | 0.15 | N2 | 0.02 | 0.07 | 0.07 | 0.27 | N3 | 0.02 | 0.04 | 0.07 | 0.17 |
| 18 | N1 | 0.02 | 0.02 | 0.08 | 0.08 | N2 | 0.02 | 0.04 | 0.08 | 0.16 | N3 | 0.03 | 0.03 | 0.12 | 0.12 |
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