Moosus, M.; Maran, U. Quantitative structure-activity relationship analysis of acute toxicity of diverse chemicals to Daphnia magna with whole molecule descriptors. SAR QSAR Environ. Res. 2011, 22, 7-8, 757–774.

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

ID	Name	logLC50	Details
1	Ethylene glycol	-0.101	View
2	2,4-Pentanedione	-0.452	View
3	Triethylene glycol	-0.457	View
4	Ethanol	-0.588	View
5	2-Propanone	-0.672	View
6	N,N-Dimethylformamide	-0.706	View
7	1-Propanol	-0.944	View
8	2,4,6-Trinitroresorcinol	-1.557	View
9	Pyridine	-1.828	View
10	Pyrimidinol	-1.961	View
11	Acetic acid ethyl ester	-2.077	View
12	1,2-Dichloroethane	-2.079	View
13	Trimethylthiourea	-2.186	View
14	1,2-Epoxyethane	-2.343	View
15	2,6-Dichlorobenzamide	-2.346	View
16	Thiophene	-2.423	View
17	Benzene	-2.449	View
18	Trichloromethane	-2.529	View
19	Methylene chloride	-2.587	View
20	1,3-Dichloropropane	-2.606	View
21	t-1,2-Dichloroethylene	-2.644	View
22	2-Chloroethyl ether	-2.775	View
24	1,3-Diethylthiourea	-2.836	View
25	Ethyl propionate	-2.837	View
26	2-Chloroethanol	-2.906	View
27	Bis(2-chloroethoxy)methane	-2.935	View
28	2,2'-Iminobisethanol	-2.969	View
29	Methylbenzene	-2.975	View
30	Isophorone	-3.061	View
31	Ethopabate	-3.074	View
32	2-Propen-1-amine	-3.128	View
33	2-Methyl-3,5-dinitrobenzamide	-3.135	View
34	Butanoic acid	-3.16	View
35	Propanoic acid	-3.171	View
36	1-Heptanol	-3.233	View
37	N-Methyl-N-phenylthiourea	-3.237	View
38	1,1-Dichloroethene	-3.33	View
39	1,2-Dichloropropane	-3.337	View
40	2-(2-nitrooxyethoxy)ethyl nitrate	-3.338	View
41	N-Ethyl-N'-phenylthiourea	-3.352	View
42	Pentanoic acid	-3.356	View
43	N,N-Dimethylthiourea	-3.394	View
44	Ethenylbenzene	-3.405	View
45	Emulsamine	-3.411	View
46	Phenyl thiourea	-3.412	View
47	1,3-Dimethylbenzene	-3.428	View
48	Trichloroethene	-3.428	View
49	2,4,6-Trinitrophenol	-3.431	View
50	3-Methoxyphenol	-3.48	View
51	Quinoline	-3.488	View
52	Pentachloroethane	-3.507	View
53	1,4-Dimethylbenzene	-3.517	View
54	alpha-Pinene	-3.522	View
55	N,N'-Diphenylthiourea	-3.532	View
56	Nitrobenzene	-3.572	View
57	Acenaphthene	-3.575	View
58	Benzo[b]thiophene	-3.605	View
59	Picloram	-3.608	View
60	Diethyl phthalate	-3.613	View
61	Simetryn	-3.63	View
62	1-Chloro-2-nitrobenzene	-3.635	View
63	Thioacetamide	-3.635	View
64	Cumene	-3.675	View
65	2-Methoxyphenol	-3.681	View
67	1,1-Dichloropropane	-3.691	View
68	1,1'-Oxybisbutane	-3.7	View
69	4-Methylphenol	-3.71	View
70	Isoquinoline	-3.711	View
71	Metalaxyl	-3.734	View
72	Bromoform	-3.74	View
73	1,4-Dithiothreitol	-3.757	View
74	Ethylbenzene	-3.761	View
75	2-Thioxo-4-imidazolinone	-3.768	View
76	Dimethyl phthalate	-3.77	View
77	1,2-Dimethylbenzene	-3.79	View
78	Camphene	-3.792	View
79	1,2,4-Trichlorobenzene	-3.799	View
80	N,N'-Dimethylthiourea	-3.8	View
81	4-Nitrophenol	-3.801	View
82	Mefenoxam	-3.824	View
83	1-Chloro-3-nitrobenzene	-3.836	View
84	2-Propenenitrile	-3.844	View
85	1,1,1,2-Tetrachloroethane	-3.845	View
86	Butylthiourea	-3.849	View
87	2-Methylphenol	-3.855	View
88	Phenol	-3.863	View
89	1,1,2-Trichloroethane	-3.87	View
90	Ethylthiourea	-3.872	View
91	Decane	-3.898	View
92	1,3-Dichlorobenzene	-3.927	View
93	Thiourea	-3.927	View
94	Naphthalene	-3.932	View
95	Chlorobenzene	-3.939	View
96	9H-Xanthene	-3.953	View
97	Tetrachloroethene	-3.964	View
98	1,2-Dimethyl-4-nitrobenzene	-3.975	View
99	Methylthiourea	-3.977	View
100	2-Methoxybenzeneamine	-4.011	View
101	1-Methyl-4-nitrobenzene	-4.015	View
102	2H-1-Benzopyran-2-one	-4.034	View
103	2,6-Dimethylphenol	-4.038	View
104	1-Methyl-3-nitrobenzene	-4.039	View
105	Carbaril	-4.079	View
106	Dicyclopentadiene	-4.1	View
107	1-Methyl-2-nitrobenzene	-4.142	View
108	2-Ethylbenzenamine	-4.178	View
109	Thiouracil	-4.221	View
110	1,4-Dichloro-2-nitrobenzene	-4.242	View
111	N,N'-Dibutylthiourea	-4.246	View
112	1,3-Dichloro-1-propene	-4.253	View
113	1,1,2,2-Tetrachloroethane	-4.256	View
114	4-Chloro-2-nitrotoluene	-4.266	View
116	1-Chloro-4-nitrobenzene	-4.305	View
117	p-Cymene	-4.315	View
118	Thiophanate methyl	-4.33	View
119	1,2,3,5-Tetrachlorobenzene	-4.347	View
120	Difenylnitrosamin	-4.405	View
121	1,3-Dichloro-5-nitrobenzene	-4.408	View
122	2-Chlorophenol	-4.409	View
123	4-Chlorophenol	-4.426	View
124	4-Bromophenol	-4.464	View
125	Salicylaldehyde	-4.474	View
126	2(3H)-Benzothiazolethione	-4.479	View
127	2-Chloro-4-nitroaniline	-4.489	View
128	Atrazine	-4.495	View
129	Diethylhexyl phthalate	-4.55	View
130	1,2-Dimethyl-3-nitrobenzene	-4.556	View
131	Propiconazole	-4.605	View
132	2-Chloro-6-nitrotoluene	-4.611	View
133	1,2-Dichloro-3-nitrobenzene	-4.625	View
134	Pyrimethamine	-4.632	View
135	Hexachloroethane	-4.642	View
136	Acridine	-4.651	View
137	2,4-Dinitrophenol	-4.652	View
138	1,2-Diphenylhydrazine	-4.653	View
139	2,4-Dichloro-1-nitrobenzene	-4.66	View
140	4-Hydroxybiphenyl	-4.668	View
141	Pentachlorobenzene	-4.674	View
142	Propoxur	-4.72	View
143	naphtho[2,1-b][1]benzoxole	-4.737	View
144	2,5-Dichloroaniline	-4.744	View
145	2,4,5-Trichlorobenzenamine	-4.762	View
146	2,4-Dimethylphenol	-4.765	View
147	2,4-Dichlorophenol	-4.797	View
148	1,2-Dichlorobenzene	-4.806	View
149	2-Methyl-4,6-dinitrophenol	-4.806	View
150	1,4-Dichlorobenzene	-4.825	View
151	3,4-Dichlorobenzenamine	-4.848	View
152	4-Chloro-3-methylphenol	-4.853	View
154	2,4,5-Trichlorophenol	-4.864	View
155	1,1'-Biphenyl	-4.866	View
156	Benzoyl isothiocyanate	-4.934	View
157	Chloroxuron	-4.994	View
158	Dehydroabietic acid	-4.996	View
159	1-Chloronaphthalene	-5.007	View
160	Dibenzofuran	-5.044	View
161	1H-Indole	-5.069	View
162	Piperonyl butoxide	-5.078	View
163	3,5-Dichlorobenzenamine	-5.16	View
164	ortho-Chloroaniline	-5.195	View
165	Butylbenzyl phthalate	-5.239	View
166	Lindane	-5.29	View
167	Endosulfan sulfate	-5.3	View
168	Isothiocyanatoethane	-5.307	View
169	2-Methylbenzenamine	-5.314	View
170	Phenanthrene	-5.325	View
172	4,5,6-Trichloroguaiacol	-5.375	View
173	[1,1'-Biphenyl]-2-ol	-5.38	View
174	Diethylstilbestrol	-5.391	View
175	1-Chloro-2,4-dinitrobenzene	-5.403	View
176	1,1'-Oxybisbenzene	-5.405	View
177	Isothiocyanatomethane	-5.417	View
178	Benzenamine	-5.419	View
179	2-Chlorobiphenyl	-5.424	View
180	Endosulfan B	-5.428	View
181	1-Isothiocyanatobutane	-5.428	View
182	2,3,4-Trichloroaniline	-5.43	View
183	2,3-Dinitrotoluene	-5.441	View
184	N-Ethylaniline	-5.46	View
185	3,4,5-Trichlorophenol	-5.463	View
186	2,3,4-trichloro-6-methoxyphenol	-5.494	View
187	2,4-Dichlorobenzenamine	-5.511	View
189	alpha-Endosulfan	-5.538	View
190	2,3,4,5-Tetrachloroaniline	-5.557	View
191	Pentachlorophenol	-5.559	View
192	Ethyl mercaptan	-5.563	View
193	4-Methoxybenzenamine	-5.572	View
194	2,3,5,6-Tetrachlorophenol	-5.609	View
195	2,4-Dichloro-6-methylphenol	-5.615	View
196	Dibenzothiophene	-5.619	View
197	2,4,5-Trichloro-1,1'-biphenyl	-5.64	View
198	3-Chlorobiphenyl	-5.642	View
199	3-Methoxybenzeneamine	-5.643	View
200	4-Chloro-1,1'-biphenyl	-5.652	View
201	Endosulfan	-5.685	View
202	4-Chloro-2-methylphenol	-5.692	View
203	2,3,4,5-Tetrachlorophenol	-5.757	View
204	N-Methylaniline	-5.787	View
205	2,4,6-Trichlorophenol	-5.818	View
206	4-Bromophenylphenyl ether	-5.84	View
207	Chlornitrofen	-5.876	View
208	2-Propenal	-5.904	View
209	Dinoseb	-6	View
211	naphtho[2,1-b][1]benzothiole	-6.027	View
213	(2-Isothiocyanatoethyl)benzene	-6.099	View
214	1-Propanethiol	-6.104	View
215	m-Chloroaniline	-6.106	View
216	2,3,4,6-Tetrachlorophenol	-6.11	View
217	4-Ethylaniline	-6.129	View
218	Isothiocyanatobenzene	-6.14	View
220	Chlorothalonil	-6.206	View
221	Heptachlor epoxide	-6.21	View
222	Methylene thiocyanate	-6.251	View
223	Carbendazim	-6.269	View
224	2,3,4,5-tetrachloro-6-methoxyphenol	-6.272	View
225	Fluoranthene	-6.282	View
226	4-tert-Octylphenol	-6.36	View
228	1,4-Diisothiocyanatobenzene	-6.397	View
229	4-Chloroaniline	-6.407	View
231	Bornate	-6.449	View
232	Heptachlor	-6.511	View
233	(Isothiocyanatomethyl)benzene	-6.54	View
234	Chlordecone	-6.612	View
235	Robenidine	-6.649	View
237	Hexachlorocyclopentadiene	-6.777	View
238	2,4,2',4'-Tetrachlorobiphenyl	-6.988	View
239	Methoxychlor	-7.02	View
240	Pyrethrin II	-7.341	View
242	Triclocarban	-7.478	View
243	Fenvalerate	-7.99	View
244	1-chloro-4-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene	-8.125	View
247	2,4,6-Tribromophenol	-8.402	View
249	Permethrin	-8.86	View
250	Cypermethrin	-9.063	View
253	Deltamethrin	-10.005	View

Bibliography

Moosus, M.; Maran, U. Quantitative structure-activity relationship analysis of acute toxicity of diverse chemicals to Daphnia magna with whole molecule descriptors. SAR and QSAR in Environmental Research 2011, 22, 757–774. https://doi.org/10.1080/1062936X.2011.623317

10967/111 - QDB Compounds

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Moosus, M.; Maran, U. Quantitative structure-activity relationship analysis of acute toxicity of diverse chemicals to Daphnia magna with whole molecule descriptors. SAR QSAR Environ. Res. 2011, 22, 7-8, 757–774.

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