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) [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

AQUIRE (Aquatic Toxicity Information Retrieval Database). 2002.

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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.

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