Cronin, M.T.D.; Aptula, A.O.; Duffy, J.C.; Netzeva, T.I.; Rowe, P.H.; Valkova, I.V.; Schultz, T.W. Comparative assessment of methods to develop QSARs for the prediction of the toxicity of phenols to Tetrahymena pyriformis. Chemosphere 2002, 49, 10, 1201–1221.

250 compounds

ID	Name	Details
1	4-Hydroxyphenylacetic acid	View
2	3-Hydroxybenzyl alcohol	View
3	4-Carboxylphenol	View
4	3-Hydroxy-4-methoxybenzyl alcohol	View
5	4-Hydroxy-3-methoxybenzylamine HCl	View
6	4-Hydroxyphenethyl alcohol	View
7	3-Carboxylphenol	View
8	4-Hydroxybenzamide	View
9	4-Hydroxy-3-methoxybenzyl alcohol	View
10	2,6-Dimethoxyphenol	View
11	2,4,6-Tris(dimethylaminomethyl)phenol	View
12	Salicylic acid	View
13	2-Methoxyphenol	View
14	5-Methylresorcinol	View
15	4-Methylcyanophenol	View
16	3-Hydroxyacetophenone	View
17	2-Ethoxyphenol	View
18	4-Acetylphenol	View
19	3-Ethoxy-4-methoxyphenol	View
20	2-Methylphenol	View
21	2-Hydroxybenzamide	View
22	Phenol	View
23	4-Methylphenol	View
24	4-Hydroxy-3-methoxyphenethyl alcohol	View
25	3-Acetamidophenol	View
26	3-Hydroxy-4-methoxybenzaldehyde	View
27	4-Hydroxy-3-methoxyacetophenone	View
28	3,5-Dimethoxyphenol	View
29	2-Hydroxyethylsalicylate	View
30	3-Methylphenol	View
31	Methyl-3-hydroxybenzoate	View
32	3-Methoxy-4-hydroxybenzaldehyde	View
33	4-Hydroxy-3-methoxybenzonitrile	View
34	3-Ethoxy-4-hydroxybenzaldehyde	View
35	4-Fluorophenol	View
36	2-Cyanophenol	View
37	5-Fluoro-2-hydroxyacetophenone	View
38	2,4-Dimethylphenol	View
39	2-Hydroxyacetophenone	View
40	2,5-Dimethylphenol	View
41	Methyl-4-hydroxybenzoate	View
42	3,5-Dimethylphenol	View
43	4'-Hydroxypropiophenone	View
44	2,3-Dimethylphenol	View
45	3,4-Dimethylphenol	View
46	2-Ethylphenol	View
47	Syringaldehyde	View
48	Salicylhydrazide	View
49	2-Chlorophenol	View
50	4-Hydroxy-2-methylacetophenone	View
51	4-Ethylphenol	View
52	3-Ethylphenol	View
53	Salicylaldoxime	View
54	2,3,6-Trimethylphenol	View
55	2,4,6-Trimethylphenol	View
56	2-Hydroxy-5-methylacetophenone	View
57	2-Bromophenol	View
58	5-Bromo-2-hydroxybenzylalcohol	View
59	2,3,5-Trimethylphenol	View
60	3-Methoxysalicylaldehyde	View
61	Salicylhydroxamic acid	View
62	2-Chloro-5-methylphenol	View
63	4-Allyl-2-methoxyphenol	View
64	2-Hydroxybenzaldehyde	View
65	2,6-Difluorophenol	View
66	Ethyl-3-hydroxybenzoate	View
67	4-Cyanophenol	View
68	4-Propyloxyphenol	View
69	4-Chlorophenol	View
70	Ethyl-4-hydroxybenzoate	View
71	5-Methyl-2-nitrophenol	View
72	2-Bromo-4-methylphenol	View
73	2,4-Difluorophenol	View
74	3-Isopropylphenol	View
75	5-Bromovanillin	View
76	α,α,α-Trifluoro-4-cresol	View
77	Methyl-4-methoxysalicylate	View
78	4-Bromophenol	View
79	2-Chloro-4,5-dimethylphenol	View
80	4-Butoxyphenol	View
81	4-Chloro-2-methylphenol	View
82	3-Tert-butylphenol	View
83	2,6-Dichlorophenol	View
84	2-Methoxy-4-propenylphenol	View
85	3-Chloro-5-methoxyphenol	View
86	4-Chloro-3-methylphenol	View
87	2-Isopropylphenol	View
88	2,6-Dichloro-4-fluorophenol	View
89	4-Iodophenol	View
90	2,2'-Biphenol	View
91	4-Tert-butylphenol	View
92	3,4,5-Trimethylphenol	View
93	2,2',4,4'-Tetrahydroxybenzophenone	View
94	4-Sec-butylphenol	View
95	3-Hydroxydiphenylamine	View
96	4-Hydroxybenzophenone	View
97	2,4-Dichlorophenol	View
98	2,4,6-Tribromoresorcinol	View
99	Benzyl-4-hydroxyphenyl ketone	View
100	4-Chloro-3-ethylphenol	View
101	2-Phenylphenol	View
102	2,5-Dichlorophenol	View
103	3-Chloro-4-fluorophenol	View
104	3-Bromophenol	View
105	6-Tert-butyl-2,4-dimethylphenol	View
106	4-Chloro-3,5-dimethylphenol	View
107	2-Hydroxybenzophenone	View
108	4-Tert-pentylphenol	View
109	4-Bromo-3,5-dimethylphenol	View
110	4-Bromo-6-chloro-2-cresol	View
111	4-Cyclopentylphenol	View
112	2-Tert-butylphenol	View
113	2-Tert-butyl-4-methylphenol	View
114	2-Hydroxydiphenylmethane	View
115	Butyl-4-hydroxybenzoate	View
116	3-Phenylphenol	View
117	n-Pentyloxyphenol	View
118	2,4-Dibromophenol	View
119	2,4,6-Trichlorophenol	View
120	2-Hydroxy-4-methoxybenzophenone	View
121	Isoamyl-4-hydroxybenzoate	View
122	3,5-Dichlorosalicylaldehyde	View
123	4-Cyclohexylphenol	View
124	3,5-Dichlorophenol	View
125	3,5-Di-tert-butylphenol	View
126	3,5-Dibromosalicylaldehyde	View
127	3,4-Dichlorophenol	View
128	4-Bromo-2,6-dichlorophenol	View
129	2,6-Di-tert-butyl-4-methylphenol	View
130	4-Chloro-2-isopropyl-5-methylphenol	View
131	2,4,6-Tribromophenol	View
132	4-Heptyloxyphenol	View
133	4-Tert-octylphenol	View
134	4-(4-Bromophenyl)phenol	View
135	3,5-Diiododsalicylaldehyde	View
136	2,3,5-Trichlorophenol	View
137	4-Nonylphenol	View
138	Nonyl-4-hydroxybenzoate	View
139	2,4,6-Trinitrophenol	View
140	3,4-Dinitrophenol	View
141	2,6-Dinitrophenol	View
142	2,6-Dichloro-4-nitrophenol	View
143	2,5-Dinitrophenol	View
144	2,4-Dinitrophenol	View
145	2,6-Dinitro-4-cresol	View
146	4-Bromo-2-fluoro-6-nitrophenol	View
147	Pentafluorophenol	View
148	4,6-Dinitro-2-methylphenol	View
149	2,4-Dichloro-6-nitrophenol	View
150	Pentachlorophenol	View
151	2,3,5,6-Tetrachlorophenol	View
152	Pentabromophenol	View
153	2,3,4,5-Tetrachlorophenol	View
154	4-Acetamidophenol	View
155	3-Aminophenol	View
156	4-Aminophenol	View
157	3-Methylcatechol	View
158	2-Amino-4-tert-butylphenol	View
159	4-Methylcatechol	View
160	1,2,4-Trihydroxybenzene	View
161	Hydroquinone	View
162	Catechol	View
163	2-Amino-4-chlorophenol	View
164	1,2,3-Trihydroxybenzene	View
165	2-Aminophenol	View
166	4-Chlorocatechol	View
167	Chlorohydroquinone	View
168	4-Amino-2-cresol	View
169	2,3-Dimethylhydroquinone	View
170	4-Amino-2,3-dimethylphenol	View
171	Bromohydroquinone	View
172	Tetrachlorocatechol	View
173	Phenylhydroquinone	View
174	3,5-Di-tert-butylcatechol	View
175	Methoxyhydroquinone	View
176	3-Hydroxy-4-nitrobenzaldehyde	View
177	5-Hydroxy-2-nitrobenzaldehyde	View
178	2-Amino-4-nitrophenol	View
179	4-Methyl-2-nitrophenol	View
180	4-Hydroxy-3-nitrobenzaldehyde	View
181	4-Nitrosophenol	View
182	2-Nitroresorcinol	View
183	4-Methyl-3-nitrophenol	View
184	2-Chloromethyl-4-nitrophenol	View
185	2-Bromo-2'-hydroxy-5'-nitroacetanilide	View
186	4-Amino-2-nitrophenol	View
187	2-Fluoro-4-nitrophenol	View
188	5-Fluoro-2-nitrophenol	View
189	4-Nitrocatechol	View
190	2-Amino-4-chloro-5-nitrophenol	View
191	4-Fluoro-2-nitrophenol	View
192	4-Nitrophenol	View
193	2-Chloro-4-nitrophenol	View
194	4-Chloro-6-nitro-3-cresol	View
195	3-Methyl-4-nitrophenol	View
196	4-Bromo-2-nitrophenol	View
197	4-Chloro-2-nitrophenol	View
198	Tetrabromocatechol	View
199	Tetramethylhydroquinone	View
200	Tetrachlorohydroquinone	View
201	1,3,5-Trihydroxybenzene	View
202	2-Hydroxybenzylalcohol	View
203	Resorscinol	View
204	4-(4-Hydroxyphenyl)-2-butanone	View
205	3-Methoxyphenol	View
206	Ethyl-4-hydroxy-3-methoxyphenylacetate	View
207	4-Methoxyphenol	View
208	3-Cyanophenol	View
209	4-Ethoxyphenol	View
210	4-Hydroxypropiophenone	View
211	3-Hydroxybenzaldehyde	View
212	4-Chlororesorcinol	View
213	2-Fluorophenol	View
214	4-Hydroxybenzaldehyde	View
215	2-Allylphenol	View
216	3-Fluorophenol	View
217	4-Isopropylphenol	View
218	2-Hydroxy-4-methoxyacetophenone	View
219	3-Methyl-2-nitrophenol	View
220	4-Propylphenol	View
221	2-Hydroxy-4,5-dimethylacetophenone	View
222	2-Methyl-3-nitrophenol	View
223	3-Chlorophenol	View
224	4,6-Dichlororesorcinol	View
225	4-Benzyloxyphenol	View
226	3-Iodophenol	View
227	4-Bromo-2,6-dimethylphenol	View
228	2,3-Dichlorophenol	View
229	5-Pentylresorcinol	View
230	4-Phenylphenol	View
231	Benzyl-4-hydroxybenzoate	View
232	4-Hexyloxyphenol	View
233	4-Hexylresorcinol	View
234	2,4,5-Trichlorophenol	View
235	2-Ethylhexyl-4'-hydroxybenzoate	View
236	2,3-Dinitrophenol	View
237	2,3,5,6-Tetrafluorophenol	View
238	2,6-Diiodo-4-nitrophenol	View
239	3,4,5,6-Tetrabromo-2-cresol	View
240	2,4-Diaminophenol	View
241	5-Amino-2-methoxyphenol	View
242	6-Amino-2,4-dimethylphenol	View
243	Trimethylhydroquinone	View
244	Methylhydroquinone	View
245	3-Nitrophenol	View
246	2-Nitrophenol	View
247	3-Fluoro-4-nitrophenol	View
248	2,6-Dibromo-4-nitrophenol	View
249	4-Nitro-3-(trifluoromethyl)phenol	View
250	Tetrafluorohydroquinone	View

10967/30 - QDB Compounds

QsarDB Repository

Cronin, M.T.D.; Aptula, A.O.; Duffy, J.C.; Netzeva, T.I.; Rowe, P.H.; Valkova, I.V.; Schultz, T.W. Comparative assessment of methods to develop QSARs for the prediction of the toxicity of phenols to Tetrahymena pyriformis. Chemosphere 2002, 49, 10, 1201–1221.

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