Cronin, M.T.D.; Schultz, T.W. Development of Quantitative Structure-Activity Relationships for the Toxicity of Aromatic Compounds to Tetrahymena pyriformis: Comparative Assessment of the Methodologies. Chem. Res. Toxicol. 2001, 14, 9, 1284–1295.

268 compounds | Property pIGC50: 40-h Tetrahymena toxicity as log(1/IGC50) [log(L/mmol)]

ID	Name	pIGC50	Ref	Details
1	2-nitrobenzoic acid	-1.64	[1]	View
2	3-amino-4-hydroxybenzene sulfonic acid	-1.50	[2]	View
3	3-nitrobenzoic acid	-1.09	[1]	View
4	3-hydroxybenzyl alcohol	-1.04	[2]	View
5	4-hydroxybenzoic acid	-1.02	[2]	View
6	2-hydroxybenzyl alcohol	-0.95	[2]	View
7	4-nitrobenzoic acid	-0.86	[1]	View
8	4-hydroxyphenethyl alcohol	-0.83	[2]	View
9	4-cyanopyridine	-0.82	[3]	View
10	4-hydroxyacetanilide	-0.82	[2]	View
11	3-hydroxybenzoic acid	-0.81	[2]	View
12	2-cyanopyridine	-0.79	[3]	View
13	4-hydroxybenzamide	-0.78	[2]	View
14	3-cyanopyridine	-0.74	[3]	View
15	2-nitrobenzamide	-0.72	[1]	View
16	3-cyano-4,6-dimethyl-2-hydroxypyridine	-0.70	[3]	View
17	2,6-dimethoxyphenol	-0.60	[2]	View
18	3-aminophenol	-0.52	[2]	View
19	benzonitrile	-0.52	[3]	View
20	salicylic acid	-0.51	[2]	View
21	2-methoxyphenol	-0.51	[2]	View
22	2-aminobenzonitrile	-0.50	[3]	View
23	3-aminobenzonitrile	-0.47	[3]	View
24	3-hydroxyacetophenone	-0.38	[2]	View
25	4-cyanobenzamide	-0.38	[3]	View
26	4-methylcyanophenol	-0.38	[2]	View
27	4-cyanoacetophenone	-0.37	[3]	View
28	2-ethoxyphenol	-0.36	[2]	View
29	1,2-dicyanobenzene	-0.34	[3]	View
30	3-methoxyphenol	-0.33	[2]	View
31	2-methylphenol	-0.30	[2]	View
32	3-ethoxy-4-methoxyphenol	-0.30	[2]	View
33	4-hydroxyacetophenone	-0.30	[2]	View
34	4-fluorobenzonitrile	-0.26	[3]	View
35	3-tolunitrile	-0.25	[3]	View
36	salicylamide	-0.24	[2]	View
37	2-tolunitrile	-0.24	[3]	View
38	3-nitrobenzyl alcohol	-0.22	[1]	View
39	phenol	-0.21	[2]	View
40	3-nitrobenzamide	-0.19	[1]	View
41	4-cresol	-0.18	[2]	View
42	3-acetamidophenol	-0.16	[2]	View
43	2,4,6-trinitrophenol	-0.16	[2]	View
44	2-nitrobenzyl alcohol	-0.16	[1]	View
45	4-methoxyphenol	-0.14	[2]	View
46	Isovanillin	-0.14	[2]	View
47	4-tolunitrile	-0.10	[3]	View
48	3,5-dimethoxyphenol	-0.09	[2]	View
49	4-aminophenol	-0.08	[2]	View
50	3-methylphenol	-0.06	[2]	View
51	3-cyanophenol	-0.06	[3,2]	View
52	3-chlorobenzonitrile	-0.06	[3]	View
53	methyl-4-cyanobenzoate	-0.06	[3]	View
54	methyl-3-hydroxybenzoate	-0.05	[2]	View
55	3-methoxy-4-hydroxybenzaldehyde	-0.03	[2]	View
56	3-cyanobenzaldehyde	-0.02	[3]	View
57	4-chlorobenzonitrile	0.00	[3]	View
58	4-ethoxyphenol	0.01	[2]	View
59	3-ethoxy-4-hydroxybenzaldehyde	0.02	[2]	View
60	4-fluorophenol	0.02	[2]	View
61	2-cyanophenol	0.03	[3,2]	View
62	3-nitroaniline	0.03	[1]	View
63	4-cyanobenzaldehyde	0.04	[3]	View
64	3-methoxybenzonitrile	0.05	[3]	View
65	4-hydroxypropiophenone	0.05	[2]	View
66	2-nitrotoluene	0.05	[4,1]	View
67	3-nitrotoluene	0.05	[4,1]	View
68	2,4-dimethylphenol	0.07	[2]	View
69	2,5-dimethylphenol	0.08	[2]	View
70	2-hydroxyacetophenone	0.08	[2]	View
71	2-nitroaniline	0.08	[1]	View
72	methyl-4-hydroxybenzoate	0.08	[2]	View
73	3-hydroxybenzaldehyde	0.09	[2]	View
74	4-methoxybenzonitrile	0.10	[3]	View
75	4-nitrobenzyl alcohol	0.10	[1]	View
76	3,5-dimethylphenol	0.11	[2]	View
77	3,4-dimethylphenol	0.12	[2]	View
78	2,3-dimethylphenol	0.12	[2]	View
79	2,4-diaminophenol	0.13	[2]	View
80	4-nitrophenylacetonitrile	0.13	[1]	View
81	3-nitrobenzaldehyde	0.14	[1]	View
82	nitrobenzene	0.14	[4,1]	View
83	2-ethylphenol	0.16	[2]	View
84	syringaldehyde	0.17	[2]	View
85	2-nitrobenzaldehyde	0.17	[1]	View
86	4-nitrotoluene	0.17	[4,1]	View
87	salicylhydrazide	0.18	[2]	View
88	2-chlorophenol	0.18	[2]	View
89	4-nitrobenzamide	0.18	[1]	View
90	2-fluorophenol	0.19	[2]	View
91	4-nitrobenzaldehyde	0.20	[1]	View
92	4-ethylphenol	0.21	[2]	View
93	3-ethylphenol	0.23	[2]	View
94	salicylaldoxime	0.25	[2]	View
95	4-fluoronitrobenzene	0.25	[1]	View
96	4-amimobenzonitrile	0.25	[3]	View
97	4-hydroxybenzaldehyde	0.27	[2]	View
98	3,4-dinitrophenol	0.27	[2]	View
99	2-chlorobenzonitrile	0.28	[3]	View
100	2,3,6-trimethylphenol	0.28	[2]	View
101	2,4,6-trimethylphenol	0.28	[2]	View
102	4-bromobenzonitrile	0.29	[3]	View
103	1,3-dimethyl-2-nitrobenzene	0.30	[4]	View
104	3-nitroacetophenone	0.32	[1]	View
105	2-bromophenol	0.33	[2]	View
106	2-allylphenol	0.33	[2]	View
107	5-hydroxy-2nitrobenzaldehyde	0.33	[2]	View
108	5-bromo-2-hydroxybenzyl alcohol	0.34	[2]	View
109	2,3,5-trimethylphenol	0.36	[2]	View
110	2-amino-4-tert-butylphenol	0.37	[2]	View
111	ethyl-4-cyanobenzoate	0.37	[3]	View
112	3-methoxysalicylaldehyde	0.38	[2]	View
113	salicylhydroxamic acid	0.38	[2]	View
114	3-fluorophenol	0.38	[2]	View
115	4-bromonitrobenzene	0.38	[4,1]	View
116	2-chloro-5-methylphenol	0.39	[2]	View
117	methyl-4-nitrobenzoate	0.40	[1]	View
118	salicylaldehyde	0.42	[2]	View
119	4-chloronitrobenzene	0.43	[4,1]	View
120	2-amino-5-chlorobenzonitrile	0.44	[3]	View
121	5-amino-2-methoxyphenol	0.45	[2]	View
122	3-nitrobenzonitrile	0.45	[3,1]	View
123	2,3-dinitrophenol	0.46	[2]	View
124	2,6-difluorophenol	0.47	[2]	View
125	4-isopropylphenol	0.47	[2]	View
126	ethyl-3-hydroxybenzoate	0.48	[2]	View
127	2-amino-4-nitrophenol	0.48	[2]	View
128	3-nitrophenol	0.51	[2,1]	View
129	4-cyanophenol	0.52	[3,2]	View
130	3,5-dinitrobenzyl alcohol	0.53	[4]	View
131	2,6-dinitrophenol	0.54	[2]	View
132	4-nitroanisole	0.54	[1]	View
133	4-chlorophenol	0.55	[2]	View
134	2,3-dimethylnitrobenzene	0.56	[4]	View
135	4-nitrobenzonitrile	0.57	[3,1]	View
136	ethyl-4-hydroxybenzoate	0.57	[2]	View
137	4-methyl-2-nitrophenol	0.57	[2]	View
138	2-bromo-4-methylphenol	0.60	[2]	View
139	2,4-difluorophenol	0.60	[2]	View
140	3-isopropylphenol	0.61	[2]	View
141	5-bromovanillin	0.62	[2]	View
142	α,α,α-trifluoro-4-cresol	0.62	[2]	View
143	2,6-dichloro-4-nitrophenol	0.63	[2]	View
144	4-propylphenol	0.64	[2]	View
145	4-nitrosophenol	0.65	[2]	View
146	2-nitrophenol	0.67	[2,1]	View
147	3-nitroanisole	0.67	[1]	View
148	4-bromophenol	0.68	[2]	View
149	2-chloro-6-nitrotoluene	0.68	[4]	View
150	2-chloronitrobenzene	0.68	[4,1]	View
151	4-nitrobenzaldoxime	0.68	[1]	View
152	2-chloro-4,5-dimethylphenol	0.69	[2]	View
153	1-cyanonaphthalene	0.69	[3]	View
154	4-chloro-2-methylphenol	0.70	[2]	View
155	4-butoxyphenol	0.70	[2]	View
156	Ethyl-4-nitrobenzoate	0.71	[1]	View
157	2-hydroxy-4,5-dimethylacetophenone	0.71	[2]	View
158	3-tert-butylphenol	0.73	[2]	View
159	3-chloronitrobenzene	0.73	[4,1]	View
160	4-methyl-3-nitrophenol	0.74	[2]	View
161	2,6-dichlorophenol	0.74	[2]	View
162	2-chloromethyl-4-nitrophenol	0.75	[2]	View
163	2-bromonitrobenzene	0.75	[4,1]	View
164	3-chloro-5-methoxyphenol	0.76	[2]	View
165	2-amino-4-chlorophenol	0.78	[2]	View
166	2-isopropylphenol	0.80	[2]	View
167	2,6-dichloro-4-fluorophenol	0.80	[2]	View
168	4-ethylnitrobenene	0.80	[1]	View
169	4-chloro-3-methylphenol	0.80	[2]	View
170	4-chloro-2-nitrotoluene	0.82	[4]	View
171	4-nitrophenetole	0.83	[1]	View
172	4-iodophenol	0.85	[2]	View
173	2,4,6-trimethylnitrobenzene	0.86	[4]	View
174	3-chlorophenol	0.87	[2]	View
175	6-methyl-1,3-dinitrobenzene	0.87	[4]	View
176	4-amino-2-nitrophenol	0.88	[2]	View
177	1,3-dinitrobenzene	0.89	[4,1]	View
178	6-amino-2,4-dimethylphenol	0.89	[2]	View
179	4-tert-butylphenol	0.91	[2]	View
180	3,4,5-trimethylphenol	0.93	[2]	View
181	2-aminophenol	0.94	[2]	View
182	2,5-dinitrophenol	0.95	[2]	View
183	2-sec-butylphenol	0.98	[2]	View
184	2,4-dichloronitrobenzene	0.99	[4]	View
185	3-bromonitrobenzene	1.03	[4,1]	View
186	2,4-dichlorophenol	1.04	[2]	View
187	2,3-dichloronitrobenzene	1.07	[4]	View
188	4-chloro-3-ethylphenol	1.08	[2]	View
189	2-nitrobenzonitrile	1.08	[3,1]	View
190	2,4-dinitrophenol	1.08	[2]	View
191	3,4-dinitrobenzyl alcohol	1.09	[4]	View
192	3-iodophenol	1.12	[2]	View
193	5-fluoro-2-nitrophenol	1.13	[2]	View
194	3-chloro-4-fluorophenol	1.13	[2]	View
195	2,5-dichlorophenol	1.13	[2]	View
196	2,5-dichloronitrobenzene	1.13	[4]	View
197	3,5-dichloronitrobenzene	1.13	[4]	View
198	3-bromophenol	1.14	[2]	View
199	3-methyl-4-bromonitrobenzene	1.16	[4]	View
200	3,4-dichloronitrobenzene	1.16	[4]	View
201	6-tert-butyl-2,4-dimethylphenol	1.16	[2]	View
202	2,3,5,6-tetrafluorophenol	1.17	[2]	View
203	2-amino-4-chloro-5-nitrophenol	1.17	[2]	View
204	4-bromo-2,6-dimethylphenol	1.17	[2]	View
205	4-nitrobenzyl chloride	1.18	[1]	View
206	4-chloro-3,5-dimethylphenol	1.20	[2]	View
207	2,6-dinitro-4-cresol	1.23	[2]	View
208	4-tert-pentylphenol	1.23	[2]	View
209	4-biphenylcarbonitrile	1.24	[3]	View
210	1,2-dinitrobenzene	1.25	[4,1]	View
211	4-bromo-3,5-dimethylphenol	1.27	[2]	View
212	4-bromo-6-chloroocresol	1.28	[2]	View
213	2,3-dichlorophenol	1.28	[2]	View
214	4-cyclopentylphenol	1.29	[2]	View
215	2-tert-butyl-4-methylphenol	1.30	[2]	View
216	2-tert-butylphenol	1.30	[2]	View
217	1,4-dinitrobenzene	1.30	[4,1]	View
218	2-nitrobiphenyl	1.30	[1]	View
219	4-amino-2-cresol	1.31	[2]	View
220	2,6-bromo-4-nitrophenol	1.35	[2]	View
221	2,5-dibromonitrobenzene	1.37	[4]	View
222	2,4-dibromophenol	1.40	[2]	View
223	2,4,6-trichlorophenol	1.41	[2]	View
224	4-nitrophenol	1.42	[2]	View
225	4-butoxynitrobenzene	1.42	[1]	View
226	2,4,6-trichloronitrobenzene	1.43	[4]	View
227	2,3,4-trichloronitrobenzene	1.51	[4]	View
228	5-methyl-1,2-dinitrobenzene	1.52	[4]	View
229	2,4,5-trichloronitrobenzene	1.53	[4]	View
230	3,5-dichlorophenol	1.57	[2]	View
231	3-nitrobiphenyl	1.57	[1]	View
232	2-chloro-4-nitrophenol	1.59	[2]	View
233	3,5-dibromosalicylaldehyde	1.64	[2]	View
234	3,5-di-tert-butylphenol	1.64	[2]	View
235	4-chloro-6-nitromcresol	1.64	[2]	View
236	pentafluorophenol	1.64	[2]	View
237	4-hexyloxyphenol	1.64	[2]	View
238	2,6-diiodo-4-nitrophenol	1.71	[2]	View
239	4,6-dinitro-2-cresol	1.72	[2]	View
240	3-methyl-4-nitrophenol	1.73	[2]	View
241	2,4-chloro-6-nitrophenol	1.75	[2]	View
242	3,4-dichlorophenol	1.75	[2]	View
243	4-bromo-2,6-dichlorophenol	1.78	[2]	View
244	2,3,4,5-tetrachloronitrobenzene	1.78	[4]	View
245	2,6-di-tert-butyl-4-methylphenol	1.80	[2]	View
246	2,3,5,6-tetrachloronitrobenzene	1.82	[4]	View
247	4-chloro-2-isopropyl-5-methylphenol	1.85	[2]	View
248	4-nitrodiphenylamine	1.89	[1]	View
249	6-chloro-1,3-dinitrobenzene	1.98	[4]	View
250	2,4,6-tribromophenol	2.03	[2]	View
251	4-heptyloxyphenol	2.03	[2]	View
252	pentachlorophenol	2.05	[2]	View
253	4-chloro-2-nitrophenol	2.05	[2]	View
254	2,4,5-trichlorophenol	2.10	[2]	View
255	4-tert-octylphenol	2.10	[2]	View
256	6-iodo-1,3-dinitrobenzene	2.12	[4]	View
257	2,4,6-trichloro-1,3-dinitrobenzene	2.19	[4]	View
258	1,2-dinitro-4,5-dichlorobenzene	2.21	[4]	View
259	2,3,5,6-tetrachlorophenol	2.22	[2]	View
260	6-bromo-1,3-dinitrobenzene	2.31	[4]	View
261	2,3,5-trichlorophenol	2.37	[2]	View
262	4,6-dichloro-1,2-dinitrobenzene	2.42	[4]	View
263	4-nonylphenol	2.47	[2]	View
264	3,4,5,6-tetrabromo-2-cresol	2.57	[2]	View
265	2,4,5-trichloro-1,3-dinitrobenzene	2.59	[4]	View
266	Pentabromophenol	2.66	[2]	View
267	2,3,4,5-tetrachlorophenol	2.71	[2]	View
268	2,3,5,6-tetrachloro-1,4-dinitrobenzene	2.74	[4]	View

Bibliography

Dearden, J. C.; Cronin, M. T. D.; Schultz, T. W.; Lin, D. T. QSAR Study of the Toxicity of Nitrobenzenes to Tetrahymena pyriformis. QSAR Comb. Sci. 1995, 14, 427–432. https://doi.org/10.1002/qsar.19950140503
Cronin, M. T. D.; Schultz, T. W. Structure-toxicity relationships for phenols to Tetrahymena pyriformis. Chemosphere 1996, 32, 1453–1468. https://doi.org/10.1016/0045-6535(96)00054-9
Cronin, M. T. D.; Bryant, S. E.; Dearden, J. C.; Schultz, T. W. Quantitative structure-activity study of the toxicity of benzonitriles to the ciliate Tetrahymena pyriformis. SAR QSAR Environ. Res. 1995, 3, 1–13. https://doi.org/10.1080/10629369508233989
Cronin, M. T. D.; Gregory, B. W.; Schultz, T. W. Quantitative Structure-Activity Analyses of Nitrobenzene Toxicity to Tetrahymena pyriformis. Chem. Res. Toxicol. 1998, 11, 902–908. https://doi.org/10.1021/tx970166m
Cronin, M. T. D.; Schultz, T. W. Development of Quantitative Structure-Activity Relationships for the Toxicity of Aromatic Compounds to Tetrahymena pyriformis: Comparative Assessment of the Methodologies. Chem. Res. Toxicol. 2001, 14, 1284–1295. https://doi.org/10.1021/tx0155202
Schultz, T. W. TETRATOX: Tetrahymena pyriformis population growth impairment endpoint - a surrogate for fish lethality. Toxicol. Mech. Meth. 1997, 7, 289–309. https://doi.org/10.1080/105172397243079

10967/10 - QDB Compounds

QsarDB Repository

Cronin, M.T.D.; Schultz, T.W. Development of Quantitative Structure-Activity Relationships for the Toxicity of Aromatic Compounds to Tetrahymena pyriformis: Comparative Assessment of the Methodologies. Chem. Res. Toxicol. 2001, 14, 9, 1284–1295.

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