Research Article
Design, Synthesis, and In Vitro Antioxidant Activity of 1,3,5-Trisubstituted-2-pyrazolines Derivatives
Table 2
Molinspiration calculation for synthesized compounds (3a–3e).
| | Compound | milogP | TPSA | natoms | MW | nON | nOHNH | Nviolation | Nrotb | Volume |
| | 3a | 4.943 | 40.769 | 25 | 351.837 | 4 | 1 | 0 | 5 | 310.001 | | 3b | 5.621 | 40.769 | 26 | 386.282 | 4 | 1 | 1 | 5 | 323.536 | | 3c | 5.752 | 40.769 | 26 | 430.733 | 4 | 1 | 1 | 5 | 327.886 | | 3d | 4.883 | 60.997 | 26 | 367.836 | 5 | 2 | 0 | 5 | 318.018 | | 3e | 4.464 | 60.997 | 26 | 367.836 | 5 | 2 | 0 | 5 | 318.018 | | Ascorbic acid | −1.402 | 107.217 | 12 | 176.124 | 6 | 4 | 0 | 2 | 139.707 | | Rutin | −1.294 | 269.427 | 42 | 596.494 | 16 | 10 | 3 | 5 | 479.267 |
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