Table 3.

Physicochemical properties of the compounds (asterisk indicates the compounds which passed the toxicity studies). a: Molecular weight, b: Partition coefficient between n-octanol and water, c: Hydrogen bond acceptor, d: Hydrogen bond donor, N: None, H: High, L: Low.

Compounds	MWa (Da)	clogPb	HBAc	HBDd	Mutagenic	Tumourigenic	Reproductive effective	Irritant
Cmpd1*	290.270	1.5087	6	5	N	N	N	N
Cmpd2	458.374	2.0543	11	8	N	N	N	N
Cmpd3	442.375	2.4	10	7	N	N	N	N
Cmpd4	306.269	1.163	7	6	N	N	N	N
Cmpd5	610.519	−1.2573	16	10	N	N	N	N
Cmpd6*	462.449	0.7178	10	4	N	N	N	N
Cmpd7	450.395	−0.1793	11	7	N	N	N	N
Cmpd8	270.239	1.6272	5	3	H	H	H	N
Cmpd9*	270.239	2.3357	5	3	N	N	N	N
Cmpd10	448.379	−0.4237	11	8	H	N	N	N
Cmpd11	432.380	−0.078	10	7	H	N	N	N
Cmpd12	360.317	2.1238	8	3	H	N	N	N
Cmpd13	448.379	0.5798	11	7	N	N	N	N
Cmpd14*	290.270	1.6348	6	5	N	N	N	N
Cmpd15	516.454	0.7977	12	7	N	N	N	N
Cmpd16	516.454	0.7977	12	7	N	N	N	N
Cmpd17	370.575	8.2146	2	1	N	N	N	N
Cmpd18	180.159	0.7285	4	3	H	H	H	N
Cmpd19	354.310	−0.7685	9	6	N	N	N	N
Cmpd20	353.460	3.5777	4	0	N	H	N	H
Cmpd21	363.456	4.0868	4	0	L	H	N	N
Cmpd22	379.455	3.1134	5	0	L	H	N	N
Cmpd23*	248.369	1.7074	3	0	N	N	N	N
Cmpd24*	287.314	1.2078	5	2	N	N	N	N
Cmpd25*	222.370	3.5349	1	1	N	N	N	N
Cmpd26	204.356	4.3321	0	0	N	N	N	L
Cmpd27*	204.356	4.4247	0	0	N	N	N	N
Cmpd28	228.246	2.8295	3	3	H	N	H	N
Cmpd29	470.476	3.3075	7	6	N	N	N	N
Cmpd30	514.528	4.6839	8	5	N	N	N	N
Cmpd31	380.395	3.884	6	5	N	N	H	N
Cmpd32	470.476	4.4782	7	6	N	N	H	N
Cmpd33	258.272	2.7595	4	3	N	N	H	N
Cmpd34*	388.458	2.5856	6	1	N	N	N	N
Cmpd35*	404.457	1.7335	7	2	N	N	N	N
Cmpd36	254.240	2.6859	4	2	H	N	N	H
Cmpd37	270.239	2.3402	5	3	H	H	H	H
Cmpd38	634.454	0.0527	18	11	N	N	N	N
Control	594.687	1.7119	12	4	N	N	N	N