Piršelová, K.; Baláž, Š.; Schultz, T.W. Model-Based QSAR for Ionizable Compounds: Toxicity of Phenols Against Tetrahymena pyriformis. Arch. Environ. Contam. Toxicol. 1996, 30, 2, 170–177.

119 compounds | Property pIGC50: 96-h Tetrahymena toxicity as log(1/IGC50) [log(L/mmol)]

ID	Name	pIGC50	Ref	Details
1	phenol	-0.431	[1]	View
2	2-methylphenol	-0.274	[1]	View
3	2-ethylphenol	0.176	[1]	View
4	2-allylphenol	0.346	[1]	View
5	2-isopropylphenol	0.803	[1]	View
6	2-tert-butylphenol	1.239	[1]	View
7	2-phenylphenol	1.094	[1]	View
8	2-fluorophenol	0.284	[1]	View
9	2-chlorophenol	0.277	[1]	View
10	2-bromophenol	0.504	[1]	View
11	2-nitrophenol	0.670	[1]	View
12	2-cyanophenol	0.031	[1]	View
13	2-hydroxybenzaldehyde	0.483	[1]	View
14	2-acetylphenol	0.078	[1]	View
15	2-hydroxybenzamide	-0.242	[1]	View
16	2-hydroxybenzylalcohol	-0.953	[1]	View
17	2-hydroxybenzaldoxime	-0.252	[1]	View
18	3-methylphenol	-0.062	[1]	View
19	3-ethylphenol	0.229	[1]	View
20	3-iso-propylphenol	0.609	[1]	View
21	3-tert-butylphenol	0.730	[1]	View
22	3-phenylphenol	1.351	[1]	View
23	3-fluorophenol	0.473	[1]	View
24	3-chlorophenol	0.957	[1]	View
25	3-iodophenol	1.118	[1]	View
26	3-nitrophenol	0.506	[1]	View
27	3-cyanophenol	-0.065	[1]	View
28	3-hydroxybenzaldehyde	0.085	[1]	View
29	3-acetylphenol	-0.381	[1]	View
30	3-methoxyphenol	-0.145	[1]	View
31	3-hydroxybenzyalcohol	-1.043	[1]	View
32	methyl-3-hydroxybenzoate	-0.046	[1]	View
33	ethyl-3-hydroxybenzoate	0.478	[1]	View
34	4-methylphenol	-0.192	[2]	View
35	4-ethylphenol	0.206	[1]	View
36	4-propylphenol	0.635	[1]	View
37	4-iso-propylphenol	0.473	[1]	View
38	4-sec-butylphenol	0.980	[1]	View
39	4-tert-butylphenol	0.913	[1]	View
40	4-tert-pentylphenol	1.233	[1]	View
41	4-cyclopentylphenol	1.292	[1]	View
42	4-phenylphenol	1.383	[1]	View
43	4-hydroxyphenylmethane	1.195	[1]	View
44	4-tert-octylphenol	2.092	[1]	View
45	α-3-trifluoro-p-cresol	0.618	[1]	View
46	4-fluorophenol	0.017	[1]	View
47	4-chlorophenol	0.545	[1]	View
48	4-bromophenol	0.681	[1]	View
49	4-iodophenol	0.854	[1]	View
50	4-nitrophenol	1.926	[1]	View
51	4-nitrosophenol	0.654	[1]	View
52	4-cyanophenol	0.516	[1]	View
53	4-hydroxybenzaldehyde	0.266	[1]	View
54	4-acetylphenol	-0.093	[1]	View
55	4-hydroxypropiophenone	0.056	[1]	View
56	4-hydroxybenzophenone	1.024	[1]	View
57	4-hydroxybenzylcyanide	-0.384	[1]	View
58	4-methoxyphenol	-0.143	[1]	View
59	4-ethoxyphenol	0.013	[1]	View
60	4-butoxyphenol	0.702	[1]	View
61	4-benzyloxyphenol	1.038	[1]	View
62	4-hexyloxyphenol	1.648	[1]	View
63	4-heptyloxyphenol	2.033	[1]	View
64	4-acetamidophenol	-0.819	[1]	View
65	4-hydroxybenzamide	-0.780	[1]	View
66	4-hydroxyphenethylalcohol	-0.828	[1]	View
67	methyl-4-hydroxybenzoate	0.084	[3]	View
68	ethyl-4-hydroxybenzoate	0.572	[1]	View
69	4-hydroxyazobenzene	1.655	[3]	View
70	4-phenoxyphenol	1.355	[4]	View
71	2,3-dimethylphenol	0.122	[5]	View
72	2,3-dichlorophenol	1.271	[5]	View
73	2,4-dimethylphenol	-0.029	[2]	View
74	2-bromo-4-methylphenol	0.789	[5]	View
75	2,4-dichlorophenol	1.036	[2]	View
76	4-chloro-2-methylphenol	0.700	[5]	View
77	2,4-dibromophenol	1.403	[5]	View
78	2-tert-butyl-4-methylphenol	1.297	[5]	View
79	2,4-dinitrophenol	1.096	[3]	View
80	2,5-dimethylphenol	0.009	[2]	View
81	2-chloro-5-methylphenol	0.640	[5]	View
82	2,5-dichlorophenol	1.128	[5]	View
83	2,5-dinitrophenol	0.929	[6]	View
84	2,6-difluorophenol	0.396	[5]	View
85	2,6-dinitrophenol	0.573	[6]	View
86	2,6-diphenylphenol	2.113	[5]	View
87	3,4-dimethylphenol	0.122	[5]	View
88	3-chloro-4-fluorophenol	0.842	[5]	View
89	4-chloro-3-methylphenol	0.795	[3]	View
90	3,4-dichlorophenol	1.745	[7]	View
91	3,5-dimethylphenol	0.113	[5]	View
92	3,5-dichlorophenol	1.562	[5]	View
93	2,3,5-trimethylphenol	0.360	[5]	View
94	2,3,5-trichlorophenol	2.373	[7]	View
95	2,3,6-trimethylphenol	0.418	[2]	View
96	2,4,5-trichlorophenol	2.097	[7]	View
97	4-chloro-2-iso-propyl-5-methylphenol	1.862	[5]	View
98	2,4,6-trichlorophenol	1.695	[5]	View
99	2,4,6-tribromophenol	2.050	[2]	View
100	4-bromo-2,6-dimethylphenol	1.278	[5]	View
101	4-bromo-6-chloro-2-methylphenol	1.277	[5]	View
102	4-bromo-2,6-dichlorophenol	1.779	[5]	View
103	2,6-di-tert-butyl-4-methylphenol	1.788	[5]	View
104	6-tert-butyl-2,4-dimethylphenol	1.245	[5]	View
105	2,6-dinitro-4-methylphenol	1.230	[6]	View
106	2,6-dibromo-4-nitrophenol	1.357	[6]	View
107	2,4-dichloro-6-nitrophenol	1.750	[6]	View
108	2,6-diiodo-4-nitrophenol	1.812	[6]	View
109	2,4,6-trinitrophenol	-0.155	[6]	View
110	4,6-dinitro-2-methylphenol	1.729	[3]	View
111	3,4,5-trimethylphenol	0.930	[5]	View
112	4-chloro-3,5-dimethylphenol	1.203	[5]	View
113	2,3,4,5-tetrachlorophenol	2.699	[7]	View
114	2,3,5,6-tetrachlorophenol	2.222	[7]	View
115	2,3,5,6-tetrafluorophenol	1.167	[6]	View
116	3,4,5,6-tetrabromo-2-methylphenol	2.573	[6]	View
117	pentafluorophenol	1.631	[6]	View
118	pentachlorophenol	2.523	[7]	View
119	pentabromophenol	2.664	[6]	View

Bibliography

Schultz, T. W.; Lin, D. T.; Wesley, S. K. QSARs for monosubstituted phenols and the polar narcosis mechanism of toxicity. Quality Assur. Good Pract. Regul. Law 1992, 1, 132–143.
Schultz, T. W.; Riggin, G. W. Predictive correlations for the toxicity of alkyl- and halogen-substituted phenols. Toxicol. Lett. 1985, 25, 47–54. https://doi.org/10.1016/0378-4274(85)90099-2
Schultz, T. W.; Holcombe, G. W.; Phipps, G. L. Relationships of quantitative structure-activity to comparative toxicity of selected phenols in the Pimephales promelas and Tetrahymena pyriformis test systems. Ecotox. Environ. Saf. 1986, 12, 146–153. https://doi.org/10.1016/0147-6513(86)90051-5
Jaworska, J. S.; Schultz, T. W. Quantitative Relationships of Structure-Activity and Volume Fraction For Selected Nonpolar and Polar Narcotic Chemicals. SAR QSAR Environ. Res. 1993, 1, 3–19. https://doi.org/10.1080/10629369308028812
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.
Cajina-Quezada, M.; Schultz, T. W. Structure-toxicity relationships for selected weak acid respiratory uncouplers. Aquat. Toxicol. 1990, 17, 239–252. https://doi.org/10.1016/0166-445X(90)90066-X
Bryant, S. E.; Schultz, T. W. Toxicological Assessment of Biotransformation Products of Pentachlorophenol: Tetrahymena Population Growth Impairment. Arch. Environ. Con. Tox. 1994, 26, 299–303. https://doi.org/10.1007/BF00203555
Piršelová, K.; Baláž, Š.; Schultz, T. W. Model-Based QSAR for Ionizable Compounds: Toxicity of Phenols Against Tetrahymena pyriformis. Arch. Environ. Con. Tox. 1996, 30, 170–177. https://doi.org/10.1007/BF00215795

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Piršelová, K.; Baláž, Š.; Schultz, T.W. Model-Based QSAR for Ionizable Compounds: Toxicity of Phenols Against Tetrahymena pyriformis. Arch. Environ. Contam. Toxicol. 1996, 30, 2, 170–177.

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