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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.

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

  1. 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. http://dx.doi.org/10.1002/qsar.19950140503

  2. Cronin, M. T. D.; Schultz, T. W. Structure-toxicity relationships for phenols to Tetrahymena pyriformis. Chemosphere 1996, 32, 1453–1468. http://dx.doi.org/10.1016/0045-6535(96)00054-9

  3. 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. http://dx.doi.org/10.1080/10629369508233989

  4. 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. http://dx.doi.org/10.1021/tx970166m

  5. 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. http://dx.doi.org/10.1021/tx0155202

  6. 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