REPOSITORY QDB GUIDELINES CITING BLOG

10967/229 - QDB Compounds

QsarDB Repository

Tulp, I.; Tamm, T.; Karelson, G.; Dobchev, D.; Martin, D.; Tämm, K.; Savchenko, D.; Jänes, J.; Härk, E.; Kreegipuu, A.; Karelson, M. QSAR for acute toxicity to Daphnia magna. Q13-31-0060. 2010.

292 compounds | Property logLC50: 48-h Daphnia toxicity as log(LC50) [log(mol/L)]

ID Name logLC50 Details
1 3,4,5-trichlorophenol -5.46 View
2 2,4-dichloro-1-nitrobenzene -4.66 View
3 methylthiourea -3.98 View
4 ethylthiourea -4 View
5 benzylisothiocyanate -6.54 View
6 2,3,4-trichloroaniline -5.43 View
7 2,3,4,5-tetrachloroaniline -5.56 View
8 phosmet -5.6 View
9 2,4,5-trichloroaniline -4.76 View
10 hexamethylphosphoramide -1.43 View
11 chlorfenvinfos -6.56 View
12 1,3-dichloropropene -4.25 View
13 3-methoxybenzeneamine -5.64 View
14 N,N'-dimethylthiourea -3.85 View
15 isothiocyanatomethane -5.42 View
16 isothiocyanatoethane -5.31 View
17 1-isothiocyanatobutane -5.43 View
18 4-ethylaniline -6.13 View
19 2-ethylbenzenamine -4.18 View
20 dibenzothiophene -5.06 View
21 thiram -6.06 View
22 4-tert-octylphenol -6.36 View
23 2-methyl-1,3-pentanediol -1.22 View
24 fluoranthene -6.28 View
25 acridine -4.81 View
26 methyl parathion -7.34 View
27 phorate -7.13 View
28 isoquinoline -3.71 View
29 ethyleneurea -1.19 View
30 2,4-dichlorophenol -4.8 View
31 pyrethrine II -7.4 View
32 malathion -7.36 View
33 3-nitrochlorobenzene -3.84 View
34 fenitrothion -6.68 View
35 2-chloro-4-nitroaniline -4.49 View
36 simazine -3.33 View
37 2,4-pentanedione -3.32 View
38 dimethyl phthalate -3.77 View
39 tributyl phosphate -4.86 View
40 pyridine -1.77 View
41 diethylamine -3.12 View
42 thiophene -2.42 View
43 dibutylthiourea -3.52 View
44 bromocyclohexane -3.89 View
45 phosphoric acid i -5.51 View
46 aldicarb -5.61 View
47 isobornyl thiocyanatoacetate -6.5 View
48 propoxur i -2.94 View
49 2-(1-methylethoxy)phenol, methyl carbamate -4.91 View
50 2,2'-iminobisethanol -2.93 View
51 2,2'-dichlorodiethyl ether -2.78 View
52 2-chloroethanol -2.61 View
53 epichlorohydrin -3.58 View
54 4-chloroaniline -6.41 View
55 p-cresol -3.71 View
56 4-bromophenol -4.46 View
57 m-toluidine -5.17 View
58 3-chloroaniline -6.11 View
59 bis(isopropyl)amine -2.35 View
60 n-butyric acid -3.16 View
61 ethylenediamine -3.36 View
62 acrylonitrile -3.78 View
63 allylamine -3.15 View
64 4-nitrophenol -3.96 View
65 ethyl benzene -3.54 View
66 1,3-dinitrobenzene -3.59 View
67 cymene -4.32 View
68 4-methylnitrobenzene -4.01 View
69 4-chloronitrobenzene -4.31 View
70 4-methoxybenzenamine -5.57 View
71 2,4-dimethylphenol -4.77 View
72 diphenylthiourea -3.53 View
73 ethylaniline -5.46 View
74 isothiocyanatobenzene -6.13 View
75 3,4-dichlorobenzenamine -5.95 View
76 o-cresol -3.87 View
77 2-chlorophenol -4.34 View
78 ortho-toluidine -5.31 View
79 nitrobenzene -3.48 View
80 1-methyl-3-nitrobenzene -4.04 View
81 bis(diethylthiocarbamoyl)disulfide -5.56 View
82 bis(dimethylthiocarbamyl)sulfide -4.86 View
83 triethylene glycol -0.46 View
84 2,2,2-trichloroethanol -3 View
85 1-heptanol -3.22 View
86 2-(2-ethoxyethoxy)ethanol -1.53 View
87 1,3-dichloropropane -2.61 View
88 1,3-dichlorobenzene -4.18 View
89 1,2,4-trichlorobenzene -4.16 View
90 tetrachloroethene -4.04 View
91 p-xylene -3.52 View
92 toluene -2.8 View
93 monochlorobenzene -3.77 View
94 m-xylene -3.43 View
95 1,1,2,2-tetrachloroethane -3.45 View
96 1,2,3-trichloropropane -3.72 View
97 4-bromophenyl phenyl ether -5.84 View
98 1-propanol -0.93 View
99 hexachloroethane -4.83 View
100 benzene -2.48 View
101 2-methyl-1-propanol -1.82 View
102 pentachloroethane -3.97 View
103 1,1,2-trichloroethane -3.09 View
104 1,2-dichloropropane -3.34 View
105 cyfluthrin -9.42 View
106 cyhalothrin -8.72 View
107 tetrachloromethane -3.64 View
108 ethanol -0.59 View
109 trichlormethane -2.72 View
110 fenvalerate -8.13 View
111 cypermethrin -9.06 View
112 permethrin -8.23 View
113 deltamethrin -10.1 View
114 iodopropynyl butylcarbamate -6.85 View
115 2,2',5-trichloro-1,1'-biphenyl -6.67 View
116 2,2',5,5'-tetrachloro-1,1'-biphenyl -6.99 View
117 diflubenzuron -7.77 View
118 2,2',4,4',5,5'-hexachloro-1,1'-biphenyl -8.44 View
119 isopropalin -7.01 View
120 3,3',4,4'-tetrachloro-1,1'-biphenyl -8.16 View
121 thiobencarb -4.67 View
122 2,3,4,5-tetrachlorophenol -5.76 View
123 thiophanate-methyl -4.33 View
124 2,3,4,5,6-Pentachlorobiphenyl -7.61 View
125 trichlorobenzene -4.4 View
126 carbendazim -5.54 View
127 N,N-dimethylthiourea -3.39 View
128 2,4,4'-trichlorobiphenyl -6.21 View
129 N-methyl-N-phenylthiourea -3.36 View
130 2-(1-methylpropyl)phenol, methylcarbamate -6.32 View
131 1,4-diisothiocyanatobenzene -6.4 View
132 dithiothreitol -3.76 View
133 tetramethylthiourea -2.23 View
134 chlorpyrifos -8.64 View
135 2-methoxy-4,5,6-trichlorophenol -5.37 View
136 tetrapropylthioperoxydicarbonicdiamide -6.19 View
137 diquat -5.01 View
138 1-phenyl-3-ethyl thiourea -3.35 View
139 2,4,2',4'-tetrachlorobiphenyl -6.99 View
140 (2-isothiocyanatoethyl)benzene -6.1 View
141 2-methoxytetrachlorophenol -6.08 View
142 trimethylthiourea -2.19 View
143 2-chlorobiphenyl -5.42 View
144 3-chlorobiphenyl -5.64 View
145 atrazine -3.6 View
146 chloroxuron -4.99 View
147 picloram -3.61 View
148 trifluralin -6.24 View
149 chlornitrofen -5.88 View
150 heptachlor epoxide -6.21 View
151 4-chloro-o-cresol -5.69 View
152 2,3,5,6-tetrachlorophenol -5.61 View
153 fonofos -7.43 View
154 dibenzothiophene-5,5-dioxide -4.57 View
155 dipropylcarbamothioic acid, S-ethyl ester -4.61 View
156 carbophenothion -6.44 View
157 benzo[b]thiophene S,S-dioxide -4.07 View
158 2,6-dimethylquinoline -3.62 View
159 dibutyl phthalate -4.88 View
160 phenanthrene -5.36 View
161 butyl benzyl phthalate -5.19 View
162 N-nitrosodiphenylamine -4.4 View
163 carbazole -4.7 View
164 1-methyl-2-nitrobenzene -4.14 View
165 1-chloro-2-nitrobenzene -3.64 View
166 isophorone -3.06 View
167 1,1-dichloropropane -3.57 View
168 acrylamide -2.65 View
169 2-chloro-6-nitrotoluene -4.61 View
170 3,3'-dichlorobenzidine -5.38 View
171 coumarin -4.03 View
172 biphenyl -4.66 View
173 benzo[b]thiophene -3.36 View
174 2,4,6-trinitrophenol -3.43 View
175 2-(1-methylpropyl)-4,6-dinitrophenol -6 View
176 1,4-dichloro-2-nitrobenzene -4.26 View
177 salicylaldehyde -4.45 View
178 2-methoxyphenol -3.68 View
179 pyrimethamine -4.63 View
180 lindane -5.39 View
181 nitroglycerine -3.85 View
182 4-chloro-3-methylphenol -4.85 View
183 dimethoate -4.94 View
184 fenthion -6.79 View
185 2,4-dinitrophenol -4.62 View
186 acetaldehyde -0.55 View
187 methyl bromide -4.63 View
188 bromoform -3.74 View
189 ethylene oxide -2.32 View
190 carbon disulfide -4.56 View
191 thiourea -3.84 View
192 thioacetamide -3.64 View
193 dieldrin -6.28 View
194 N,N-dimethylformamide -0.7 View
195 2,3-dinitrotoluene -5.44 View
196 3,5-dichloroaniline -5.16 View
197 1,3-dichloro-5-nitrobenzene -4.46 View
198 1,1,1,2-tetrachloroethane -3.84 View
199 1,1,3,3-tetramethylurea -1.6 View
200 diethylene glycol dinitrate -3.34 View
201 benzoyl isothiocyanate -4.93 View
202 2-thioxo-4-imidazolinone -3.77 View
203 diazinon -8.45 View
204 dinitro-o-cresol -4.79 View
205 2,6-dimethylphenol -4.04 View
206 2,4-dichloroaniline -5.43 View
207 tribromoethene -4.33 View
208 2-naphthol -4.61 View
209 ethyl acetate -2.09 View
210 thiouracil -4.22 View
211 butyl ether -3.7 View
212 dinitolmide -3.14 View
213 3-methoxyphenol -3.48 View
214 trans-1,2-dichloroethylene -2.64 View
215 diethyl p-nitrophenyl phosphate -9.14 View
216 2,4,6-trinitrotoluene -4.39 View
217 2,4-dinitrotoluene -3.72 View
218 1,2-diphenylhydrazine -4.65 View
219 dimethylamine -2.96 View
220 cyclohexene -3.94 View
221 pentanoic acid -3.36 View
222 phenol -3.44 View
223 endosulfan -6.14 View
224 1-propanethiol -6.1 View
225 acrolein -6 View
226 4-chlorophenol -4.42 View
227 m-cresol -3.76 View
228 styrene -3.41 View
229 N-methylaniline -5.79 View
230 ethyl propionate -2.78 View
231 1,3-diethylthiourea -2.84 View
232 phenylthiourea -3.54 View
233 2,5-dichloroaniline -4.74 View
234 1,2-epoxyethylbenzene -4.02 View
235 2,4,5-trichlorophenol -4.86 View
236 2-chloroaniline -5.19 View
237 cumene -3.64 View
238 1,2-dimethyl-4-nitrobenzene -3.98 View
239 1-chloro-2,4-dinitrobenzene -5.4 View
240 ethylene thiourea -3.59 View
241 pentachlorophenol -5.64 View
242 hexachlorocyclopentadiene -6.72 View
243 propionic acid -3.17 View
244 1,2-dimethyl-3-nitrobenzene -4.56 View
245 diethyl phthalate -3.61 View
246 quinoline -3.53 View
247 2-phenylphenol -5.38 View
248 4-phenylphenol -4.67 View
249 1,2-dichloroethane -2.29 View
250 1,2-ethanediol -0.48 View
251 4-chloro-2-nitrotoluene -4.27 View
252 1,4-dichlorobenzene -4.17 View
253 o-aminoanisole -4.01 View
254 1-chloronaphthalene -5.01 View
255 2-methyl-2,4-pentanediol -1.22 View
256 trichloroethene -3.35 View
257 o-xylene -3.78 View
258 parathion -8.17 View
259 naphthalene -4.12 View
260 1,2-dichlorobenzene -4.81 View
261 2,3,4,6-tetrachlorophenol -6.12 View
262 diphenyl ether -5.46 View
263 ethopabate -3.07 View
264 dichlormethane -2.59 View
265 trichlorofon -6.31 View
266 DDT -7.89 View
267 ethyl mercaptan -5.56 View
268 esfenvalerate -9.19 View
269 acetonitrile -1.06 View
270 1,1-dichloroethene -3.28 View
271 acetone -0.62 View
272 2,2',3,3',4,4'-hexachlorobiphenyl -8.78 View
273 aniline -5.33 View
274 endrin -6.38 View
275 carbaryl -7.33 View
276 3,4,5-trichloroguaiacol -5.56 View
277 fluridone -4.86 View
278 2,4,5,2',5'-Pentachlorobiphenyl -7.51 View
279 5,6-dihydro-3H-imidazo[2,1-c]-1,2,4-dithiazole-3-thione -5.92 View
280 robenidine -6.65 View
281 nonylphenol i -6.41 View
282 thiocyanic acid, methylene ester -6.25 View
283 DDE i -6.86 View
284 1,2-dichloro-3-nitrobenzene -4.62 View
285 2,6-dichlorobenzamide -2.35 View
286 4-chloro-1,1'-biphenyl -5.6 View
287 chlorothalonil -6.21 View
288 2,4-dichloro-6-methylphenol -5.65 View
289 pentachloroanisole -7.01 View
290 butylthiourea -3.85 View
291 carbofuran -6.52 View
292 simetryn -3.63 View

Bibliography

  1. Hunter, R.; Niemi, G.; Pilli, A.; Veith, G. AQUIRE (Aquatic Toxicity Information Retrieval Database). 2002.