Table 7. Physicochemical Parameters of the Synthesized Compoundsa.
code | formula | MW | NHA | NAHA | F Csp3 | NRB | NHBA | NHBD | MR | TPSA (Å2) |
---|---|---|---|---|---|---|---|---|---|---|
1 | C15H15NO | 225.29 | 17 | 12 | 0.13 | 2 | 2 | 1 | 72.09 | 32.59 |
2 | C16H17NO2 | 255.31 | 19 | 12 | 0.19 | 4 | 3 | 1 | 77.87 | 41.82 |
Notation: number of heavy atoms (NHA), number of aromatic heavy atoms (NAHA), F (fraction), number of rotatable bonds (NRB), number of H-bond acceptors (NHBA), number of H-bond donors (NHBD), molar refractivity (MR), topological polar surface area (TPSA).