Journal of Chemistry / 2013 / Article / Tab 2

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).

CompoundmilogPTPSAnatomsMWnONnOHNHNviolationNrotbVolume

3a 4.943 40.769 25351.837 4 1 0 5310.001
3b 5.621 40.769 26386.282 4 1 1 5323.536
3c 5.752 40.769 26430.733 4 1 1 5327.886
3d 4.883 60.997 26367.836 5 2 0 5318.018
3e 4.464 60.997 26367.836 5 2 0 5318.018
Ascorbic acid −1.402107.217 12176.124 6 4 0 2139.707
Rutin−1.294 269.42742596.494 16 10 3 5479.267

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