Table 1.

Nitrone parameters used for multivariable analysis.

Comp.	KO/W	Dihedral Angle (δ, °)	MP2 Charge	Dipolar Moment (μ)	IP (Kcal/mol)	DOX Inhibition (%)
1	0.71	−45.29	0.1371	5.45	160.14	11
2	6.86	−43.66	0.13554	7.299	161.97	17
3	4.55	−44.86	0.13582	11.077	169.69	18
4	0.74	−41.33	0.13673	4.07	153.61	9
5	2.55	−66.31	0.13617	4.45	164.47	26
6	0.39	−60.26	0.14333	4.89	157.58	34
7	2.05	−45.7	0.14543	3.61	163.36	21
8	0.98	−43.38	0.14087	5.617	159.03	11
9	8.22	−37.44	0.13149	6.58	162.32	14
10	19.58	−35.04	0.13068	4.61	164.13	14
11	17.66	−34.52	0.12936	5.46	156.14	24
12	1.02	−49.98	0.12992	3.25	160.42	9

K_o/w: experimental n-octanol-water partition coefficient determined in PBS buffer; δ: dihedral angle determined by the N-oxide function and the α aryl ring; MP2 charge: MP2 calculated charge at the N-oxide α-carbon; μ: DFT calculated dipolar moment; IP: DFT-calculated ionization potential and DOX inhibition: deoxyribose oxidation inhibition.