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10967/73 - QDB Compounds

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Bearden, A.P.; Schultz, T.W. Comparison of Tetrahymena and Pimephales Toxicity Based on Mechanism of Action. SAR QSAR Environ. Res. 1998, 9, 3-4, 127–153.

262 compounds | Property pIGC50: 2-day Tetrahymena toxicity as log(1/IGC50) [log(L/mmol)]

ID Name pIGC50 Details
1 1-tridecanol 2.37 View
2 5-chloro-2-pyridinol -0.75 View
3 6-chloro-2-picoline -0.48 View
4 benzothiazole -0.26 View
5 biphenyl 1.05 View
6 bromobenzene 0.08 View
7 carbazole 0.91 View
8 isopropyl benzene 0.69 View
9 hexanoic acid -0.20 View
10 n,n-dimethylbenzyl amine 0.12 View
11 n-butylbenzene 1.25 View
12 quinoline 0.09 View
13 1,2,4-trichlorobenzene 1.08 View
14 1-heptanol 0.10 View
15 1-nonanol 0.86 View
16 1-octanol 0.58 View
17 1-pentanol -1.07 View
18 2-methyl-1-propanol -1.37 View
19 2-octanone -0.15 View
20 4-methyl-2-pentanone -1.21 View
21 acetophenone -0.46 View
22 hexyl alcohol -0.38 View
23 naphthalene -0.12 View
24 octylcyanide 0.62 View
25 1-butanol -1.43 View
26 1-propanol -1.77 View
27 2-dimethylaminopyridine -0.55 View
28 2-dodecanone 1.67 View
29 2-ethyl-1-hexanol 0.17 View
30 2-heptanone -0.49 View
31 2-hexanone -1.34 View
32 2-methyl-2-propanol -1.79 View
33 2-methylpyridine -1.01 View
34 2-nonanone 0.66 View
35 2-propanol -1.89 View
36 2-undecanone 1.50 View
37 4-bromophenyl-3-pyridylketone 0.82 View
38 4-phenylpyridine 0.66 View
39 5-ethylmethylpyridine -0.18 View
40 α,α-dimethylbenzene propanol -0.07 View
41 cyclohexanol -0.77 View
42 decyl alcohol 1.34 View
43 ethyl alcohol -2.31 View
44 ethyl carbamate -1.65 View
45 methyl alcohol -2.72 View
46 n,n-diethylaniline 0.67 View
47 propionitrile -1.97 View
48 1,2-bis(4-pyridyl)ethane -0.03 View
49 2,6-diphenylpyridine NTAS View
50 2-butanone -1.75 View
51 2-decanone 0.58 View
52 2-tolunitrile -0.24 View
53 2-tridecanone 2.12 View
54 3-methyl-2-butanone -1.17 View
55 3-pentanone -1.46 View
56 4-benzoylpyridine -0.10 View
57 5-nonanone 0.07 View
58 6-methyl-5-hepten-2-one -0.45 View
59 acetone -2.15 View
60 acetonitrile -2.28 View
61 benzamide -0.91 View
62 benzophenone 0.87 View
63 dimethylsulfoxide -2.49 View
64 n-amyl benzene 1.79 View
65 pyrrole -1.09 View
66 undecylcyanide 1.90 View
67 3-methylpyridine -0.99 View
68 dibenzofuran 1.42 View
69 1,2-dichlorobenzene 0.53 View
70 2,4,6-tri(tert)butylphenol NTAS View
71 2-pentanone -1.44 View
72 3,4-dichlorotoluene 1.22 View
73 1,3-dihydroxybe,nzene -0.65 View
74 2,4,6-tribromphenol 2.03 View
75 2,4,6-trimethylphenol 0.42 View
76 α,α,α-tetrafluro(m)toluidine 0.77 View
77 α,α,α-4-tetrafluro(o)toluidine -0.02 View
78 2,3,6-trimethylphenol 0.28 View
79 2,6-di(tert)butyl-4-methylphenol 1.79 View
80 2-amino-5-chlorobenzonitrile 0.44 View
81 2-hydroxybenzamide -0.24 View
82 1-naphthol 0.75 View
83 2,4-dimethylphenol 0.14 View
84 2-chlorophenol 0.18 View
85 2-cyanopyridine -0.83 View
86 3-methoxyphenol -0.33 View
87 4-acetylpyridine -0.87 View
88 4-chloro-3-methylphenol 0.80 View
89 6-chloro-2-pyridinol -0.29 View
90 phenol -0.32 View
91 pyridine -1.32 View
92 2-amino-5-bromopyridine 0.50 View
93 4-methoxyphenol -0.14 View
94 4-methylpyridine -0.88 View
95 2-methylphenol -0.29 View
96 2-bromo-3-pyridinol 0.15 View
97 2-chloro-3-pridinol -0.01 View
98 3-cyano-4,6-dimethyl-1,2-dihydroxypyridine -0.70 View
99 4chlorophenol 0.55 View
100 2,4,6-trichlorophenol 1.41 View
101 ethyl-4-aminobenzoate 0.70 View
102 phenyl-4aminosalicylate 1.41 View
103 2,4-dichlorophenol 1.04 View
104 2-phenylphenol 1.09 View
105 4-phenoxyphenol 1.36 View
106 4-(tert)pentylphenol 1.23 View
107 4-(tert)-butylphenol 0.91 View
108 nonylphenol 2.47 View
109 4-propylphenol 0.64 View
110 2-allyphenol 0.33 View
111 4-ethylphenol 0.21 View
112 4-methylphenol -0.16 View
113 2,6diisopropylaniline 0.78 View
114 4-hexyloxyaniline 1.38 View
115 n,ndimethylaniline 0.28 View
116 4-decylaniline NTAS View
117 4-octylaniline 2.43 View
118 aniline -0.11 View
119 4-methylaniline -0.05 View
120 3-benzyloxyaniline 0.88 View
121 4-ethylaniline 0.03 View
122 4-butylaniline 1.07 View
123 n-methylaniline 0.06 View
124 (+/-)-secbutylamine -0.67 View
125 amylamine -0.48 View
126 benzylamine -0.24 View
127 butylamine -0.57 View
128 decylamine 2.06 View
129 dodecylamine NTAS View
130 heptylamine 0.21 View
131 hexylamine -0.22 View
132 n-ethylbenzylamine 0.22 View
133 nonylamine 1.70 View
134 octylamine 0.61 View
135 propylamine -0.71 View
136 undecylamine 2.33 View
137 ethylbenzoate -0.01 View
138 (tert)butylacetate -1.49 View
139 methylacetate -2.00 View
140 butylacetate -0.49 View
141 ethylacetate -1.30 View
142 ethylhexanoate 0.06 View
143 hexylacetate -0.04 View
144 propylacetate -1.24 View
145 diethyladipate -0.24 View
146 dieth ylbenzyl malonate 0.71 View
147 diethylmalonate -1.03 View
148 diethylsebacate 1.35 View
149 dimethylphthalate -0.44 View
150 dibutylphthalate 1.60 View
151 diethylphthalate 0.23 View
152 methyl-4-cyanobenzoate -0.05 View
153 dibutyladipate 0.79 View
154 methyl-2,4-dihydroxybenzoate 0.61 View
155 methyl-2,5-dichlorobenzoate 0.81 View
156 2,3,4,5-tetrachlorophenol 2.72 View
157 2,3,5,6-tetrachloroaniline 1.89 View
158 2,4-dinitroaniline 0.72 View
159 2,4-dinitrophenol 1.06 View
160 2,6-dinitrophenol 0.54 View
161 4,6-dinitro-2-methylphenol 1.73 View
162 4-phenlazophenol 1.66 View
163 pentachlorophenol 2.07 View
164 pentachloropyridine 1.71 View
165 pentabromophenol 2.66 View
166 2,5-dinitrophenol 0.95 View
167 (tert)butyldinitrophenol 1.80 View
168 2,3,4,6-tetrachlorophenol 2.21 View
169 (dl)1-amino-2-propanol -0.93 View
170 acetoneoxime -1.25 View
171 acrylamide -0.79 View
172 allylisothiocyanate 2.06 View
173 2-aminoethanol -1.01 View
174 salicyl aldoxime 0.25 View
175 3-hydroxy-2-nitropyridine 0.87 View
176 2-(ethylamino)ethanol -0.77 View
177 4-nitrobenzamide 0.18 View
178 1,2-dihydroxybenzene 0.75 View
179 tetrachlorocatechol 1.70 View
180 2-propenal 1.41 View
181 2-methyl-1,4-naphthoquinone 1.54 View
182 2,4-pentanedione -0.27 View
183 methyl-4-nitrobenzoate 0.39 View
184 3-butenenitrile -1.48 View
185 2,6-pyridinedicarboxylic acid 0.12 View
186 3-acetamidophenol -0.16 View
187 4-acetamidophenol -0.82 View
188 dicumarol 1.70 View
189 5-methyl-2-hexanone -0.65 View
190 4-ethoxy-2-nitroaniline 0.76 View
191 2-chloro-4-nitroaniline 0.75 View
192 4-amino-2-nitrophenol 0.88 View
193 4-nitrophenol 1.43 View
194 2-nitrophenol 0.67 View
195 4-nitroaniline 1.12 View
196 isobutylacrylate 0.29 View
197 2-hydroxyethylacrylate 0.69 View
198 2-hydroxyethylacrylate -1.08 View
199 acrylamide -0.79 View
200 ethylacrylate 0.52 View
201 methylmethacrylate -1.22 View
202 2-methyl-1,4-napthoquinone 1.54 View
203 allylmethacrylate -0.68 View
204 cyclohexyl acry late 0.76 View
205 dibutylfumarate 1.49 View
206 n-hexylacrylate 0.71 View
207 2-hydroxypropylacrylate 0.65 View
208 2-ethoxyethylmethacrylate -0.78 View
209 benzylmethacrylate 0.65 View
210 isopropylmethacrylate -0.88 View
211 benzaldehyde -0.01 View
212 hexylaldehyde -0.19 View
213 butyraldehyde -0.37 View
214 tetradecylaldehyde NTAS View
215 3-ethoxy-4-hydroxbenaldehyde 0.02 View
216 4-dimethylaminobenzaldhyde 0.23 View
217 4-isopropylbenzaldeshyde 0.67 View
218 4-phenoxybenzaldehyde 1.26 View
219 2methylvaleraldehyde -0.47 View
220 4-nitrobenzaldehyde 0.20 View
221 2-tolualdehyde -0.01 View
222 5-bromovanillin 0.62 View
223 isovaleraldehyde -0.33 View
224 valeraldehyde -0.13 View
225 2,4,5-trimethoxybenzaldehyde -0.10 View
226 2,4-dichlorobenzaldehyde 1.04 View
227 2,4-dihydroxybenzaldehyde 0.73 View
228 2,4-dimethoxybenaldehyde -0.06 View
229 2chloro-5-nitrobenzaldehyde 0.53 View
230 2-fluorobenzaldehyde 0.08 View
231 2-methylbuteraldehyde -0.39 View
232 2-nitrobenzaldehyde 0.17 View
233 3,5-dibromosalicylaldehyde 1.65 View
234 3-pyridincarboxaldehyde -0.15 View
235 4-chlorobenzaldehyde 0.40 View
236 4ethoxybenzaldehyde 0.07 View
237 3-methoxysalicylaldehyde 0.38 View
238 pentafluorbenzaldehyde 0.82 View
239 2-hydroxybenzaldehyde 0.42 View
240 3-methoxy-4-hydroxybnzaldehyde -0.03 View
241 5-hydroxy-2-nitrobenaldehyde 0.44 View
242 2,4-nitrotoluene 0.64 View
243 1-chloro-2-nitrobenzene 0.63 View
244 3-nitrotoluene 0.42 View
245 1-chloro-3-nitrobenene 0.73 View
246 1-fluoro-4-nitrobenzene 0.10 View
247 nitrobenzene 0.14 View
248 1,4-dinitrobenzene 1.30 View
249 dichlorodinitrobenzene 2.60 View
250 1,3,5-trichloro-2,4-dinitrobenzene 2.19 View
251 2-methyl-3-butyn-2-ol -1.49 View
252 2-phenyl-3-butyn-2-ol -0.18 View
253 cis-3-hexen-1-ol -0.81 View
254 4-pentyn-2-ol -1.63 View
255 1-hexen-3-ol -0.81 View
256 2-butyn-1,4-diol -1.19 View
257 2-butyn-1-ol -1.43 View
258 2-propyn-1-ol -0.74 View
259 3-butyn-1-ol -1.84 View
260 3-butyn-2-ol -0.40 View
261 2-propen-1-ol -1.92 View
262 2-decyn-1-ol 0.99 View

Bibliography

  1. Bearden, A. P.; Schultz, T. W. Comparison of Tetrahymena and Pimephales Toxicity Based on Mechanism of Action. SAR QSAR Environ. Res. 1998, 9, 127–153. http://dx.doi.org/10.1080/10629369808039153