Table 2.
List of descriptors used in this work.
| Descriptors | Symbol | Class |
|---|---|---|
| Molecular weight | MW | Constitutional |
| Balaban's index | IB | Topological |
| Wiener Index | WI | |
| Coefficient of partition Octanol/Water | LogP | Physico-chemical |
| Polarizability | αe(cm3) | |
| Parachor | Pc(cm3) | |
| Energy of Van der Waals | EVDW (ev) | Geometrical |
| Molecular volume | MV (cm3) | |
| Energy gap | EGap(ev) | Quantum (Electronic) |
| Energy HOMO | EHOMO(ev) | |
| Energy LUMO | ELUMO(ev) | |
| Index of electrophilicity | w (ev) | |
| Electronegativity | x (ev) | |
| Chemical potential | μ (ev) | |
| Chemical hardness | ɳ (ev) |