Table 4.

Values of selected descriptors used in the regression analysis.

Comp.	log P	0χv	1χv	κα1	R	J	Te	LUMO	HOMO	μ
1	3.80	19.26	12.12	23.45	16.83	1.11	−6066.58	−1.43	−9.40	5.03
2	2.65	17.73	11.13	21.83	15.28	1.30	−5592.84	−1.61	−9.55	4.89
3	3.59	18.95	12.06	23.56	16.94	1.10	−5941.01	−1.50	−9.45	6.13
4	3.78	19.87	12.48	24.51	17.33	1.10	−6096.83	−1.48	−9.44	6.46
5	4.18	19.22	12.64	22.87	16.44	1.11	−5786.82	−1.44	−9.26	4.35
6	4.02	21.61	13.13	27.31	18.80	1.08	−6892.74	−1.52	−9.47	4.57
7	3.96	20.28	12.60	25.43	17.87	1.04	−6416.38	−1.24	−9.31	3.63
8	3.97	19.08	12.20	23.24	16.94	1.10	−5876.24	−1.44	−9.41	5.94
9	4.32	20.37	12.63	24.68	17.23	1.11	−6426.68	−1.52	−9.50	5.43
10	4.30	20.99	12.99	25.75	17.73	1.10	−6456.92	−1.53	−9.50	6.26
11	4.54	22.73	13.64	28.55	19.20	1.08	−7252.83	−1.58	−9.54	4.56
12	4.48	21.40	13.11	26.67	18.26	1.08	−6776.58	−1.50	−9.31	4.94
13	4.32	20.37	12.63	24.68	17.24	1.12	−6426.62	−1.46	−9.43	5.87
14	3.17	18.85	11.65	23.07	15.69	1.32	−5952.87	−1.59	−9.56	4.39
15	4.11	20.07	12.58	24.79	17.35	1.11	−6301.05	−1.46	−9.46	5.62
16	4.30	20.99	13.00	25.75	17.74	1.11	−6456.86	−1.46	−9.44	5.91
17	4.70	20.33	13.15	24.10	16.85	1.13	−6146.85	−1.42	−9.26	4.19
18	4.54	22.73	13.64	28.55	19.21	1.09	−7252.77	−1.52	−9.48	4.22
19	4.48	21.40	13.11	26.67	18.26	1.08	−6776.49	−1.45	−9.23	7.97
20	4.48	21.40	13.11	26.67	18.26	1.08	−6776.58	−1.50	−9.31	4.94
21	2.75	18.51	11.60	22.71	16.33	1.11	−6102.21	−1.42	−9.38	4.66
22	2.54	18.20	11.55	22.81	16.44	1.10	−5976.63	−1.49	−9.43	5.76
23	2.54	18.20	11.55	22.81	16.44	1.10	−5976.63	−1.49	−9.43	5.76
24	2.73	19.13	11.97	23.77	16.83	1.10	−6132.46	−1.46	−9.42	6.76
25	3.13	18.47	12.12	22.13	15.94	1.12	−5822.44	−1.43	−9.27	4.07
26	2.97	20.87	12.61	26.56	18.30	1.08	−6928.37	−1.51	−9.45	4.92
27	2.91	19.53	12.09	24.68	17.37	1.08	−6452.11	−1.43	−9.31	5.85
28	2.92	18.33	11.69	22.50	16.44	1.10	−5911.86	−1.44	−9.39	5.67