Schultz, T.W.; Netzeva, T.I.; Cronin, M.T.D. Selection of data sets for qsars: analyses of tetrahymena toxicity from aromatic compounds. SAR QSAR Environ. Res. 2003, 14, 1, 59–81.

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

ID	Name	pIGC50	Details
1	3-Aminobenzyl alcohol	-1.13	View
2	2-Aminobenzyl alcohol	-1.07	View
3	Benzyl alcohol	-0.83	View
4	4-Hydroxyphenethyl alcohol	-0.83	View
5	4-Aminobenzyl cyanide	-0.76	View
6	2-Nitrobenzamide	-0.72	View
7	4-Hydroxy-3-methoxybenzyl alcohol	-0.70	View
8	2-Methoxyaniline	-0.69	View
9	(sec)-Phenethyl alcohol	-0.66	View
10	1,3-Dihydroxybenzene	-0.65	View
11	1-Phenyl-2-propanol	-0.62	View
12	Phenethyl alcohol	-0.59	View
13	2-Phenyl-2-propanol	-0.57	View
14	3-Amino-2-cresol	-0.55	View
15	2,4,6-Tris-(Dimethylaminomethyl)phenol	-0.52	View
16	4-Methylbenzyl alcohol	-0.49	View
17	Phenylacetic acid hydrazide	-0.48	View
18	3-Cyanoaniline	-0.47	View
19	Acetophenone	-0.46	View
20	2-Methylbenzyl alcohol	-0.43	View
21	(+/-)1-Phenyl-1-propanol	-0.43	View
22	2,3-Dimethylaniline	-0.43	View
23	2,6-Dimethylaniline	-0.43	View
24	2-Methyl-1-phenyl-2-propanol	-0.41	View
25	N-Methylphenethylamine	-0.41	View
26	2-Phenyl-1-propanol	-0.40	View
27	3-Fluorobenzyl alcohol	-0.39	View
28	4-Hydroxybenzyl cyanide	-0.38	View
29	4-Cyanobenzamide	-0.38	View
30	2-Fluoroaniline	-0.37	View
31	3,5-Dimethylaniline	-0.36	View
32	Benzyl cyanide	-0.36	View
33	Phenol	-0.35	View
34	3-Methoxyphenol	-0.33	View
35	2,5-Dimethylaniline	-0.33	View
36	2-Methylphenol	-0.29	View
37	2,4-Mimethylaniline	-0.29	View
38	3-Methylaniline	-0.28	View
39	β-Methylphenethylamine	-0.28	View
40	4-Methylphenethyl alcohol	-0.26	View
41	Benzylamine	-0.24	View
42	2-Tolunitrile	-0.24	View
43	3-Methylbenzyl alcohol	-0.24	View
44	Aniline	-0.23	View
45	2-Ethylaniline	-0.22	View
46	3-Nitrobenzyl alcohol	-0.22	View
47	3-Phenyl-1-propanol	-0.21	View
48	Benzaldehyde	-0.20	View
49	2-Phenyl-3-butyn-2-ol	-0.18	View
50	1-Phenylethylamine	-0.18	View
51	2-Chloroaniline	-0.17	View
52	1-Phenyl-2-butanol	-0.16	View
53	3,4-Dimethylaniline	-0.16	View
54	2-Methylaniline	-0.16	View
55	4-Methylphenol	-0.16	View
56	3-Phenylpropionitrile	-0.16	View
57	3-Acetamidophenol	-0.16	View
58	4-Methoxyphenol	-0.14	View
59	Phenetole	-0.14	View
60	3-Hydroxy-4-methoxybenzaldehyde	-0.14	View
61	Chlorobenzene	-0.13	View
62	Benzene	-0.12	View
63	2-Phenyl-1-butanol	-0.11	View
64	Benzaldoxime	-0.11	View
65	Anisole	-0.10	View
66	3-Fluoroaniline	-0.10	View
67	2,4,5-Trimethoxybenzaldehyde	-0.10	View
68	(S +/-)-1-Phenyl-1-butanol	-0.09	View
69	3,5-Dimethoxyphenol	-0.09	View
70	3-Methylphenol	-0.08	View
71	3-Phenyl-2-propen-1-ol	-0.08	View
72	α,α-Dimethylbenzenepropanol	-0.07	View
73	Propiophenone	-0.07	View
74	2-Nitroanisole	-0.07	View
75	4-Methylaniline	-0.05	View
76	2,4,6-Trimethylaniline	-0.05	View
77	2-(4-Tolyl)-ethylamine	-0.04	View
78	3-Ethylaniline	-0.03	View
79	3-Methoxy-4-hydroxybenzaldehyde	-0.03	View
80	4-Hydroxy-3-methoxybenzonitrile	-0.03	View
81	Ethyl phenylcyanoacetate	-0.02	View
82	(R +/-)-1-Phenyl-1-butanol	-0.01	View
83	4-Methyl benzylamine	-0.01	View
84	Thioacetanilide	-0.01	View
85	3-Phenyl-1-butanol	0.01	View
86	α-Methylbenzyl cyanide	0.01	View
87	4-Ethoxyphenol	0.01	View
88	3-Ethoxy-4-hydroxybenzaldehyde	0.02	View
89	4-Fluorophenol	0.02	View
90	4-Ethylaniline	0.03	View
91	3-Nitroaniline	0.03	View
92	4-Chloroaniline	0.05	View
93	(+/-)-2-Phenyl-2-butanol	0.06	View
94	Benzyl chloride	0.06	View
95	N-Methylaniline	0.06	View
96	4-Ethylbenzyl alcohol	0.07	View
97	N-Ethylaniline	0.07	View
98	Bromobenzene	0.08	View
99	2-Nitroaniline	0.08	View
100	2-Propylaniline	0.08	View
101	3-Hydroxybenzaldehyde	0.08	View
102	Thiobenzamide	0.09	View
103	1-Fluoro-4-nitrobenzene	0.10	View
104	2-Bromobenzyl alcohol	0.10	View
105	4-Methoxybenzonitrile	0.10	View
106	3,5-Dimethylphenol	0.11	View
107	3-Nitrobenzaldehyde	0.11	View
108	4-Phenyl-1-butanol	0.12	View
109	4'-Hydroxypropiophenone	0.12	View
110	2-iso-Propylaniline	0.12	View
111	3,4-Dimethylphenol	0.12	View
112	2,3-Dimethylphenol	0.12	View
113	4-Chlororesorcinol	0.13	View
114	2,4-Dimethylphenol	0.14	View
115	2-(4-Chlorophenyl)-ethylamine	0.14	View
116	Nitrobenzene	0.14	View
117	2,5-Dimethylphenol	0.14	View
118	4-Phenylbutyronitrile	0.15	View
119	3-Chlorobenzyl alcohol	0.15	View
120	2-Anisaldehyde	0.15	View
121	2-Ethylphenol	0.16	View
122	4-Chlorobenzylamine	0.16	View
123	(+/-)-1-Phenyl-2-pentanol	0.16	View
124	Cinnamonitrile	0.16	View
125	2-Nitrobenzaldehyde	0.17	View
126	Thioanisole	0.18	View
127	2-Chloro-4-methylaniline	0.18	View
128	4-iso-Propylbenzyl alcohol	0.18	View
129	Phenyl-1,3-dialdehyde	0.18	View
130	2-Fluorophenol	0.19	View
131	4-Nitrobenzaldehyde	0.20	View
132	4-Ethylphenol	0.21	View
133	Butyrophenone	0.21	View
134	4-iso-Propylaniline	0.22	View
135	3-Chloroaniline	0.22	View
136	4-(Dimethylamino)-benzaldehyde	0.23	View
137	3-Anisaldehyde	0.23	View
138	1-Fluoro-2-nitrobenzene	0.23	View
139	4-Xylene	0.25	View
140	Toluene	0.25	View
141	4-Methylanisole	0.25	View
142	4-Chlorobenzyl alcohol	0.25	View
143	2,4-Dihydroxyacetophenone	0.25	View
144	2-Nitrotoluene	0.26	View
145	Pentafluoroaniline	0.26	View
146	2-Phenylpyridine	0.27	View
147	3-Hydroxy-4-nitrobenzaldehyde	0.27	View
148	2,3,6-Trimethylphenol	0.28	View
149	3-Ethylphenol	0.29	View
150	2,6-Diethylaniline	0.31	View
151	Methyl-4-methylaminobenzoate	0.31	View
152	Benzoyl cyanide	0.31	View
153	4-Chlorophenethyl alcohol	0.32	View
154	3'-Nitroacetophenone	0.32	View
155	2-Allylphenol	0.33	View
156	5-Hydroxy-2-nitrobenzaldehyde	0.33	View
157	2-Bromophenol	0.33	View
158	2,5-Difluoronitrobenzene	0.33	View
159	4-Chloro-2-methylaniline	0.35	View
160	2-Iodoaniline	0.35	View
161	2,3,5-Trimethylphenol	0.36	View
162	Iodobenzene	0.36	View
163	4-(tert)-Butylaniline	0.36	View
164	4-Methyl-2-nitroaniline	0.37	View
165	2-Amino-4-(tert)-butylphenol	0.37	View
166	2-Benzylpyridine	0.38	View
167	3-Chloro-2-methylaniline	0.38	View
168	3-Chloro-4-methylaniline	0.39	View
169	Methyl-4-nitrobenzoate	0.39	View
170	4-Chlorobenzaldehyde	0.40	View
171	5-Phenyl-1-pentanol	0.42	View
172	(2-Bromoethyl)-benzene	0.42	View
173	2,4,6-Trimethylphenol	0.42	View
174	3-Nitrotoluene	0.42	View
175	2-Hydroxybenzaldehyde	0.42	View
176	1-Chloro-4-nitrobenzene	0.43	View
177	Dimethylnitroterephthalate	0.43	View
178	2-Amino-5-chlorobenzonitrile	0.44	View
179	3-Nitrobenzonitrile	0.45	View
180	4-Bromotoluene	0.47	View
181	3-Phenylpyridine	0.47	View
182	4-iso-Propylphenol	0.47	View
183	4-(tert)-Butylbenzyl alcohol	0.48	View
184	Benzhydrol	0.50	View
185	5-Chloro-2-methylaniline	0.50	View
186	3-Nitrophenol	0.51	View
187	1,2-Dichlorobenzene	0.53	View
188	2-Chloro-5-nitrobenzaldehyde	0.53	View
189	4-Chlorophenol	0.54	View
190	Phenyl propargyl sulfide	0.54	View
191	2-Chloro-5-methylphenol	0.54	View
192	2-Hydroxy-4-methoxyacetophenone	0.55	View
193	2,4-Dichloroaniline	0.56	View
194	1,2-Dimethyl-3-nitrobenzene	0.56	View
195	Valerophenone	0.56	View
196	4-Methyl-2-nitrophenol	0.57	View
197	2,5-Dichloroaniline	0.58	View
198	trans-Methyl cinnamate	0.58	View
199	1,2-Dimethyl-4-nitrobenzene	0.59	View
200	5-Chloro-2-hydroxybenzamide	0.59	View
201	5-Methyl-2-nitrophenol	0.59	View
202	4-Chloroanisole	0.60	View
203	2-Bromo-4-methylphenol	0.60	View
204	4-Bromophenyl acetonitrile	0.60	View
205	4-Butoxyaniline	0.61	View
206	4-sec-Butylaniline	0.61	View
207	3-iso-Propylphenol	0.61	View
208	2-iso-Propylphenol	0.61	View
209	3-Methyl-2-nitrophenol	0.61	View
210	4-Hydroxy-3-nitrobenzaldehyde	0.61	View
211	5-Bromovanillin	0.62	View
212	α,α,α-Trifluoro-4-cresol	0.62	View
213	4-Benzylpyridine	0.63	View
214	4-Propylphenol	0.64	View
215	Benzylidene malononitrile	0.64	View
216	4-Nitrotoluene	0.65	View
217	3-Iodoaniline	0.65	View
218	Benzyl methacrylate	0.65	View
219	4-Chlorobenzyl cyanide	0.66	View
220	2-Methyl-5-nitrophenol	0.66	View
221	2-Nitroresorcinol	0.66	View
222	1-Bromo-4-ethylbenzene	0.67	View
223	4-iso-Propylbenzaldehyde	0.67	View
224	2-Nitrophenol	0.67	View
225	1,4-Dibromobenzene	0.68	View
226	2-Chloro-6-nitrotoluene	0.68	View
227	1-Chloro-2-nitrobenzene	0.68	View
228	4-Bromophenol	0.68	View
229	4-Benzoylaniline	0.68	View
230	iso-Propylbenzene	0.69	View
231	2-Chloro-4,5-dimethylphenol	0.69	View
232	4-Butoxyphenol	0.70	View
233	4-Chloro-2-methylphenol	0.70	View
234	3,5-Dichloroaniline	0.71	View
235	2-Hydroxy-4,5-dimethylacetophenone	0.71	View
236	Ethyl-4-nitrobenzoate	0.71	View
237	3-Nitroanisole	0.72	View
238	2,4-Dinitroaniline	0.72	View
239	1-Chloro-3-nitrobenzene	0.73	View
240	2,6-Dichlorophenol	0.73	View
241	3-tert-Butylphenol	0.74	View
242	1,1-Diphenyl-2-propanol	0.75	View
243	2-Chloro-4-nitroaniline	0.75	View
244	1-Bromo-2-nitrobenzene	0.75	View
245	2-Methoxy-4-propenylphenol	0.75	View
246	2-Chloromethyl-4-nitrophenol	0.75	View
247	4,5-Difluoro-2-nitroaniline	0.75	View
248	2,6-Diisopropylaniline	0.76	View
249	3-Chloro-5-methoxyphenol	0.76	View
250	4-Ethoxy-2-nitroaniline	0.76	View
251	1,3-Dinitrobenzene	0.76	View
252	α,α,α-4-Tetrafluoro-3-toluidine	0.77	View
253	Ethyl-4-methoxybenzoate	0.77	View
254	(+/-)-1,2-Diphenyl-2-propanol	0.80	View
255	4-Chloro-3-methylphenol	0.80	View
256	3-Chloro-4-fluoronitrobenzene	0.80	View
257	Methyl-2,5-dichlorobenzoate	0.81	View
258	4-Chloro-2-nitrotoluene	0.82	View
259	Pentafluorobenzaldehyde	0.82	View
260	4-Bromophenyl-3-pyridyl ketone	0.82	View
261	Methyl-4-chloro-2-nitrobenzoate	0.82	View
262	4-Nitrophenetole	0.83	View
263	2,6-Dinitrophenol	0.83	View
264	2,6-Dinitroaniline	0.84	View
265	4-Iodophenol	0.85	View
266	1,3,5-Trimethyl-2-nitrobenzene	0.86	View
267	6-Phenyl-1-hexanol	0.87	View
268	3-Chlorophenol	0.87	View
269	Benzophenone	0.87	View
270	1,3,5-Trichlorobenzene	0.87	View
271	2,4-Dinitrotoluene	0.87	View
272	4-(tert)-Butylphenol	0.91	View
273	4-Biphenylmethanol	0.92	View
274	3,4,5-Trimethylphenol	0.93	View
275	2,2',4,4'-Tetrahydroxybenzophenone	0.96	View
276	4-Pentyloxyaniline	0.97	View
277	2,4-Dichloronitrobenzene	0.99	View
278	(trans)-Ethyl cinnamate	0.99	View
279	4-Benzoylphenol	1.02	View
280	4-Benzoylphenol	1.02	View
281	1-Bromo-3-nitrobenzene	1.03	View
282	2,4-Dichlorophenol	1.04	View
283	2,5-Dinitrophenol	1.04	View
284	2,4-Dichlorobenzaldehyde	1.04	View
285	Biphenyl	1.05	View
286	2,4-Dinitrophenol	1.06	View
287	4-Butylaniline	1.07	View
288	3,4-Dichlorotoluene	1.07	View
289	2,3-Dichloronitrobenzene	1.07	View
290	Benzyl-4-hydroxyphenyl ketone	1.07	View
291	1,2,4-Trichlorobenzene	1.08	View
292	4-Chloro-3-ethylphenol	1.08	View
293	1-Fluoro-3-iodo-5-nitrobenzene	1.09	View
294	Resorcinol monobenzoate	1.11	View
295	6-Chloro-2,4-dinitroaniline	1.12	View
296	4-Biphenylcarboxaldehyde	1.12	View
297	3,5-Dichloronitrobenzene	1.13	View
298	2,5-Dichloronitrobenzene	1.13	View
299	2-Bromo-5-nitrotoluene	1.16	View
300	3,4-Dichloronitrobenzene	1.16	View
301	6-tert-Butyl-2,4-dimethylphenol	1.16	View
302	4-Bromo-2,6-dimethylphenol	1.16	View
303	2,2'-Dihydroxybenzophenone	1.16	View
304	3,5-Dibromo-4-hydroxybenzonitrile	1.16	View
305	4-(Pentyloxy)-benzaldehyde	1.18	View
306	4-Nitrobenzyl chloride	1.18	View
307	Hexanophenone	1.19	View
308	4-Chloro-3,5-dimethylphenol	1.20	View
309	4-tert-Pentylphenol	1.23	View
310	n-Propyl cinnamate	1.23	View
311	2-Bromo-4,6-dinitroaniline	1.24	View
312	n-Butylbenzene	1.25	View
313	1,2-Dinitrobenzene	1.25	View
314	4-Bromobenzophenone	1.26	View
315	2,4-Dichloro-6-nitroaniline	1.26	View
316	4-Phenoxybenzaldehyde	1.26	View
317	4-Chloro-3-nitrophenol	1.27	View
318	4-Bromo-6-chloro-2-cresol	1.28	View
319	2,4,5-Trichloroaniline	1.30	View
320	1,4-Dinitrobenzene	1.30	View
321	2-Nitrobiphenyl	1.30	View
322	5-Pentylresorcinol	1.31	View
323	Ethyl-4-bromobenzoate	1.33	View
324	2',3',4'-Trichloroacetophenone	1.34	View
325	Phenyl benzoate	1.35	View
326	Phenyl-4-hydroxybenzoate	1.37	View
327	2,5-Dibromonitrobenzene	1.37	View
328	4-Hexyloxyaniline	1.38	View
329	2,4-Dibromophenol	1.40	View
330	2,4,6-Trichlorophenol	1.41	View
331	Phenyl isothiocyanate	1.41	View
332	2-Hydroxy-4-methoxybenzophenone	1.42	View
333	1,3,5-Trichloro-2-nitrobenzene	1.43	View
334	Benzyl benzoate	1.45	View
335	iso-Amyl-4-hydroxybenzoate	1.48	View
336	2,5-Diphenyl-1,4-benzoquinone	1.48	View
337	4-Chlorobenzophenone	1.50	View
338	1,2,3-Trichloro-4-nitrobenzene	1.51	View
339	1,2,4-Trichloro-5-nitrobenzene	1.53	View
340	n-Butyl cinnamate	1.53	View
341	3-Chlorobenzophenone	1.55	View
342	3,5-Dichlorosalicylaldehyde	1.55	View
343	Heptanophenone	1.56	View
344	3,5-Dichlorophenol	1.56	View
345	4-Nitrophenyl phenyl ether	1.58	View
346	2,4-Dibromo-6-nitroaniline	1.62	View
347	4-Chloro-6-nitro-3-cresol	1.63	View
348	Pentafluorophenol	1.63	View
349	3,5-Di-tert-butylphenol	1.64	View
350	3,5-Dibromosalicylaldehyde	1.65	View
351	3-Trifluoromethyl-4-nitrophenol	1.65	View
352	4,5-Dichloro-2-nitroaniline	1.66	View
353	2,4-Dinitro-1-fluorobenzene	1.71	View
354	2-(Benzylthio)-3-nitropyridine	1.72	View
355	4,6-Dinitro-2-methylphenol	1.73	View
356	2,4-Chloro-6-nitrophenol	1.75	View
357	2,3,5,6-Tetrachloroaniline	1.76	View
358	4-Bromo-2,6-dichlorophenol	1.78	View
359	2,3,4,5-Tetrachloronitrobenzene	1.78	View
360	n-Amylbenzene	1.79	View
361	4-Hexylresorcinol	1.80	View
362	4-(tert)-Butyl-2,6-dinitrophenol	1.80	View
363	2,6-Iodo-4-nitrophenol	1.81	View
364	2,3,5,6-Tetrachloronitrobenzene	1.82	View
365	2,3,4,6-Tetrafluoronitrobenzene	1.87	View
366	Octanophenone	1.89	View
367	1,2,3-Trifluoro-4-nitrobenzene	1.89	View
368	2,4,6-Bromophenol	1.91	View
369	2,3,4,5-Tetrachloroaniline	1.96	View
370	4-Ethylbiphenyl	1.97	View
371	1,2,4,5-Tetrachlorobenzene	2.00	View
372	Pentachlorophenol	2.07	View
373	2,4,5-Trichlorophenol	2.10	View
374	2,4-Dinitro-1-iodobenzene	2.12	View
375	1-Chloro-2,4-dinitrobenzene	2.16	View
376	2,3,4,6-Tetrachlorophenol	2.18	View
377	1,3,5-Trichloro-2,4-dinitrobenzene hemihydrate	2.19	View
378	1,2-Dichloro-4,5-dinitrobenzene	2.21	View
379	1,5-Dichloro-2,3-dinitrobenzene	2.42	View
380	Nonylphenol	2.47	View
381	3,4,5,6-Tetrabromo-2-cresol	2.57	View
382	1,3-Dinitro-2,4,5-trichlorobenzene	2.60	View
383	Pentabromophenol	2.66	View
384	2,3,4,5-Tetrachlorophenol	2.72	View
385	1,4-Dinitrotetrachlorobenzene	2.82	View

Bibliography

Schultz, T. W.; Netzeva, T. I.; Cronin, M. T. D. Selection of data sets for qsars: analyses of tetrahymena toxicity from aromatic compounds. SAR QSAR Environ. Res. 2003, 14, 59–81. http://dx.doi.org/10.1080/1062936021000058782
Schultz, T. W. TETRATOX: Tetrahymena pyriformis population growth impairment endpoint - a surrogate for fish lethality. Toxicol. Mech. Meth. 1997, 7, 289–309. http://dx.doi.org/10.1080/105172397243079

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10967/66 - QDB Compounds

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Schultz, T.W.; Netzeva, T.I.; Cronin, M.T.D. Selection of data sets for qsars: analyses of tetrahymena toxicity from aromatic compounds. SAR QSAR Environ. Res. 2003, 14, 1, 59–81.

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