Schultz, T.W.; Bearden, A.P.; Jaworska, J.S. A novel QSAR approach for estimating toxicity of phenols. SAR QSAR Environ. Res. 1996, 5, 2, 99–112.

60 compounds | Property pIGC50: 2-day Tetrahymena toxicity as log(1/IGC50) [log(L/mmol)]

ID	Name	pIGC50	Details
1	2,6-di(tert)butyl-4-CH3	1.791	View
2	2-(tert)butyl	1.248	View
3	4-O(CH2)5CH3	1.648	View
4	4-O(CH2)6CH3	2.032	View
5	2,3,6-CH3	0.277	View
6	4-0C6H5	1.356	View
7	4-O(CH2)3CH3	0.702	View
8	4-OCH2CH3	0.013	View
9	2-CH(CH3)CH3	0.798	View
10	3,4-CH3	0.122	View
11	4-(tert)butyl	0.913	View
12	4-OCH3	-0.143	View
13	3-CH2CH3	0.229	View
14	3-CH3	-0.077	View
15	H	-0.321	View
16	4-cyclopentyl	1.292	View
17	4-F	0.017	View
18	4-Cl-3,5-CH3	1.203	View
19	4-Cl-2-CH3	0.701	View
20	4-Cl	0.545	View
21	4-Br	0.681	View
22	3-F	0.381	View
23	3-Cl	0.871	View
24	3-Cl-4-F	1.042	View
25	3-I	1.118	View
26	2-F	0.185	View
27	3,4-Cl	1.738	View
28	3-NO2	0.506	View
29	4-N=NC6H5	1.656	View
30	2,4-Br-6-C6H5	2.208	View
31	2,5-Cl	1.128	View
32	2,6-F	0.471	View
33	2,3-Cl	1.272	View
34	2,4,5-Cl	2.097	View
35	2-NO2	0.670	View
36	4-NO	0.654	View
37	3,4,5,6-Br-2-CH3	2.569	View
38	5-F-2-NO2	1.123	View
39	4-Cl-6-N02-3-CH3	1.635	View
40	2,4,6-Br	2.032	View
41	2,3,4,5-Cl	2.721	View
42	2,3,5,6-F	1.168	View
43	penta-F	1.631	View
44	2,6-I-4-NO2	1.813	View
45	2,3,5,6-Cl	2.215	View
46	2,5-NO2	0.950	View
47	penta-Cl	2.060	View
48	2,6-Br-4-NO2	1.357	View
49	2,4-Cl-6-NO2	1.752	View
50	penta-Br	2.658	View
51	2,6-NO2-4-(tert)butyl	1.802	View
52	2,6-NO2-4-CH3	1.230	View
53	2,6-NO2	0.540	View
54	2,4,6-NO2	-0.155	View
55	3-CH3-4-NO2	1.635	View
56	4-NO2	1.926	View
57	2-Cl-4-NO2	1.590	View
58	3,4-NO2	0.266	View
59	4,6-NO2-2-CH3	1.728	View
60	2,4-NO2	1.096	View

Bibliography

Schultz, T. W.; Bearden, A. P.; Jaworska, J. S. A novel QSAR approach for estimating toxicity of phenols. SAR QSAR Environ. Res. 1996, 5, 99–112. https://doi.org/10.1080/10629369608031710
Schultz, T. W.; Lin, D. T.; Wilke, T. S.; Arnold, L. M. Quantitative structure-activity relationships for the Tetrahymena pyriformis population growth endpoint: a mechanism of action approach. In Practical Applications of Quantitative Structure-Activity Relationships (QSAR) in Environmental Chemistry and Toxicology; Karcher, W.; Devillers, J., Eds.; Joint Research Centre; 1990.