Ren, S.; Frymier, P.D.; Schultz, T.W. An exploratory study of the use of multivariate techniques to determine mechanisms of toxic action. Ecotoxicol. Environ. Saf. 2003, 55, 1, 86–97.

337 compounds | Property pLC50: 96-h Fathead minnow toxicity as log(1/LC50)

ID	Name	pLC50	Details
1	Ethylcarbamate	-1.77	View
2	Benzamide	-0.74	View
3	Ethanol	-2.49	View
4	Methanol	-2.96	View
5	2-Propanol	-2.21	View
6	Acetone	-2.10	View
7	Dimethylsulfoxide	-2.64	View
8	1-Propanol	-1.87	View
9	1-Butanol	-1.37	View
10	1-Pentanol	-0.73	View
11	Acetonitrile	-1.60	View
12	2-Methyl-2-propanol	-1.94	View
13	2-Methyl-1-propanol	-1.29	View
14	2-Butanone	-1.65	View
15	Naphthalene	1.32	View
16	Quinoline	0.22	View
17	N,N-Diethylaniline	0.96	View
18	Biphenyl	1.90	View
19	Benzothiazole	0.33	View
20	1,2-Dichlorobenzene	1.19	View
21	3,4-Dichlorotoluene	1.74	View
22	3-Pentanone	-1.25	View
23	Isopropylbenzene	1.28	View
24	Acetophenone	-0.13	View
25	A,A-Dimethylbenzene propanol	0.39	View
26	N,N-Dimethylbenzylamine	0.55	View
27	N-Butylbenzene	1.83	View
28	2-Ethyl-1-hexanol	0.66	View
29	5-Ethyl-2-methylpyridine	0.17	View
30	Propionitrile	-1.44	View
31	2-Pentanone	-1.16	View
32	4-Methyl-2-pentanone	-0.73	View
33	Bromobenzene	0.94	View
34	4-Methylpyridine	-0.64	View
35	Cyclohexanol	-0.85	View
36	3-Methylpyridine	-0.19	View
37	2-Methylpyridine	-0.98	View
38	Pyrrole	-0.50	View
39	5-Methyl-2-hexanone	-0.14	View
40	2-Heptanone	-0.06	View
41	6-Methyl-5-hepten-2-one	0.83	View
42	2-Octanone	0.55	View
43	1-Hexanol	0.02	View
44	1-Heptanol	0.53	View
45	1-Octanol	0.98	View
46	2-Undecanone	3.06	View
47	Decylalcohol	1.82	View
48	1-Tridecanol	2.59	View
49	Benzophenone	1.08	View
50	1,2,4-Trichlorobenzene	1.78	View
51	N,N-Dimethylaniline	0.36	View
52	Dibenzofuran	1.96	View
53	1-Nonanol	1.40	View
54	5-Nonanone	0.66	View
55	2-Tolunitrile	0.42	View
56	N-Amylbenzene	1.94	View
57	3-Methyl-2-butanone	-1.00	View
58	2-Hexanone	-0.63	View
59	2-Tridecanone	2.74	View
60	2-Decanone	1.44	View
61	2-Nonanone	0.97	View
62	Cis-3-Hexen-1-ol	-0.58	View
63	4-Phenylpyridine	0.98	View
64	Octylcyanide	1.40	View
65	Undecylcyanide	2.63	View
66	5-Chloro-2-pyridinol	-0.94	View
67	1-Hexen-3-ol	0.52	View
68	1,2-bis-(4-Pyridyl)-ethane	0.09	View
69	2-Dimethylaminopyridine	-0.02	View
70	2-Dodecanone	2.19	View
71	4-Bromophenyl-3-pyridylketone	1.11	View
72	4-Benzoylpyridine	0.25	View
73	6-Chloro-2-picoline	-0.26	View
74	Acrylamide	-0.19	View
75	Nitrobenzene	0.02	View
76	3-Nitrotoluene	0.73	View
77	Dibutylfumarate	2.52	View
78	2-Methyl-3-butyn-2-ol	-1.59	View
79	Acetoneoxime	-0.88	View
80	2-Phenyl-3-butyn-2-ol	0.11	View
81	4-Pentyn-2-ol	0.38	View
82	3-Bromothiophene	1.42	View
83	1,4-Dicyanobutane	-1.25	View
84	3-Methyl-1-pentyn-3-ol	-1.09	View
85	Cyclohexanoneoxime	-0.26	View
86	N,N-Diethylacetamide	-1.11	View
87	Anthranilamide(2-aminobenzamide)	-0.46	View
88	2-Acetyl-1-methylpyrrole	-0.11	View
89	2',3',4'-Trichloroacetophenone	2.05	View
90	2',4'-Dichloroacetophenone	1.21	View
91	4-Nitrophenylphenylether	1.91	View
92	Triphenylphosphineoxide	0.71	View
93	Triphenylphosphate	2.57	View
94	Carbontetrachloride	0.57	View
95	Chloroacetonitrile	1.75	View
96	Malononitrile	2.07	View
97	1,2,4-Trichlorobenzene	1.78	View
98	Trans-3-Hexen-1-ol	-0.43	View
99	N-Propylsulfide	0.74	View
100	Toluene	0.41	View
101	4-Xylene	1.08	View
102	Butylsulfide	1.61	View
103	1-Benzoylacetone	2.17	View
104	Acetaldoxime	-0.11	View
105	2-Butanoneoxime	-0.99	View
106	γ-Decanolactone	0.98	View
107	1-Bromohexane	1.68	View
108	5-Methyl-2-hexanone	-0.14	View
109	1-Bromoheptane	2.09	View
110	2,3-Benzofuran	0.93	View
111	1-Bromooctane	2.36	View
112	2-Methylimidazole	-0.54	View
113	2,4,5-Tribromoimidazole	1.58	View
114	1-Methylpiperazine	-1.36	View
115	2,4,5-Trimethyloxazole	-0.61	View
116	Cyclohexanone	-0.87	View
117	3,3-Dimethyl-2-butanone	0.06	View
118	2-Methyl-2,4-pentanediol	-1.96	View
119	1-(2-Aminioethyl)piperazine	-1.23	View
120	Methyl-4-chlorobenzoate	1.19	View
121	1,6-Dicyanohexane	-0.59	View
122	3-Methylindole	1.17	View
123	Flavone	1.80	View
124	2-Ethylpyridine	-0.59	View
125	2,4-Dimethyl-3-pentanol	-0.15	View
126	3-(3-Pyridyl)-1-propanol	-0.04	View
127	4-Chloro-3-methylphenol	1.29	View
128	Aniline	-0.09	View
129	2-Hydroxybenzamide	0.13	View
130	Dicumarol	1.82	View
131	4-tert-Pentylphenol	1.80	View
132	2,4,6-Trichlorophenol	1.64	View
133	2-Hydroxybenzaldehyde	1.73	View
134	1-Naphthol	1.49	View
135	2-Phenylphenol	1.44	View
136	3,5-Dibromosalicylaldehyde	2.52	View
137	Salicylaldoxime	1.63	View
138	2,4-Dihydroxybenzaldehyde	1.02	View
139	2-Methylphenol	0.89	View
140	2-Chloroaniline	1.35	View
141	2-Chlorophenol	0.97	View
142	4-tert-Butylphenol	1.47	View
143	Benzylamine	0.02	View
144	N-Methylaniline	0.03	View
145	2-Cyanopyridine	-0.84	View
146	4-Acetamidophenol	-0.73	View
147	4-Butylaniline	1.17	View
148	Nonylphenol	3.20	View
149	2,4-Dimethylphenol	0.87	View
150	4-Methylphenol	0.82	View
151	4-Chlorophenol	1.32	View
152	4-Methylaniline	-0.17	View
153	Resorcinol	0.34	View
154	Phenol	0.46	View
155	Pyridine	-0.10	View
156	2,4-Dichlorophenol	1.32	View
157	3-Ethoxy-4-hydroxybenaldehyde	0.28	View
158	3-Methoxy-4-hydroxybenaldehyde	0.09	View
159	4-Ethylphenol	1.07	View
160	2,6-Di(tert)butyl-4-methylphenol	2.78	View
161	Phenyl-4-aminosalicylate	1.62	View
162	3-Methoxysalicylaldehyde	1.80	View
163	3-Methoxyphenol	0.23	View
164	4-Methoxyphenol	0.05	View
165	α,α,α,4-Tetrafluoro-o-toluidine	0.78	View
166	2,4,6-Trimethylphenol	1.02	View
167	4-Ethylaniline	0.22	View
168	4-Ethoxy-2-nitroaniline	0.85	View
169	3-Acetamidophenol	-0.87	View
170	4-Propylphenol	1.09	View
171	3-Cyano-4,6-dimethyl-2-hydroxypyridine	-0.02	View
172	4-Phenoxyphenol	1.58	View
173	2-Amino-5-bromopyridine	-0.01	View
174	4-Acetylpyridine	-0.14	View
175	Methyl-4-cyanobenzoate	0.54	View
176	3-Benzyloxyaniline	1.34	View
177	2-Allylphenol	0.95	View
178	Methyl-2,4-dihydroxybenzoate	0.57	View
179	α,α,α-Tetrafluoro-m-toluidine	0.77	View
180	2,3,6-Trimethylphenol	1.22	View
181	5-Bromovanillin	0.59	View
182	N-Ethylbenzylamine	0.37	View
183	4-Octylaniline	3.23	View
184	6-Chloro-2-pyridinol	-0.22	View
185	2,6-Diisopropylaniline	1.10	View
186	4-Hexyloxyaniline	1.80	View
187	Ethyl-4-aminobenzoate	0.67	View
188	Carbazole	2.33	View
189	2-Bromo-3-pyridinol	-0.43	View
190	2-Chloro-3-pyridinol	-0.68	View
191	2-Amino-4-chloro-6-methylpyrimidine	-0.01	View
192	5-Bromosalicylaldehyde	2.19	View
193	5-Chlorosalicylaldehyde	2.31	View
194	2,4-Diaminotoulene	-1.07	View
195	3'-Aminoacetophenone	-0.45	View
196	1,4-bis(3-Aminopropyl)piperazine	-1.19	View
197	2,2'-Methylenebis(3,4,6-trichlorophenol)	4.29	View
198	2,3,4-Trichloroaniline	1.74	View
199	2-Chloro-4-methylaniline	0.60	View
200	3-Cyano-4,6-dimethyl-2-hydrox	-0.03	View
201	Phenyl-4-aminosalicylate	1.74	View
202	3-Benzyloxyaniline	1.34	View
203	2,4,6-Triiodophenol	2.59	View
204	4,6-Dimethyl-2-hydroxybenzaldehyde	1.83	View
205	2,2'-Methylenebis(4-chlorophenol)	2.94	View
206	2,4-Dinitrophenol	1.24	View
207	Hexylaldehyde	0.66	View
208	Methylacetate	-0.73	View
209	Dibutyladipate	1.85	View
210	Diethylsebacate	1.98	View
211	2-(Ethylamino)ethanol	-1.22	View
212	Diethyladipate	1.08	View
213	Diethylbenzylmalonate	1.66	View
214	Diethylphthalate	0.84	View
215	Dibutylphthalate	2.40	View
216	Ethylbenzoate	1.14	View
217	Propylacetate	0.23	View
218	Ethylhexanoate	1.21	View
219	Butylacetate	0.81	View
220	Dimethylphthalate	0.21	View
221	Ethylacetate	-0.42	View
222	Hexylacetate	1.52	View
223	(tert)Butylacetate	-0.45	View
224	Diethylmalonate	1.02	View
225	Isovaleraldehyde	1.42	View
226	Dimethylnitroterephthalate	1.56	View
227	Dibutylsuccinate	1.71	View
228	Dibutylisophthalate	2.49	View
229	Propylamine	-0.72	View
230	Butylamine	-0.56	View
231	Amylamine	-0.31	View
232	Hexylamine	0.25	View
233	Heptylamine	0.72	View
234	Octylamine	1.40	View
235	Nonulamine	1.82	View
236	Decylamine	2.18	View
237	Undecylamine	2.91	View
238	(+/-)-sec-Butylamine	-0.58	View
239	1,2-Diaminopropane	-1.13	View
240	1,3-Diaminopropane	-1.21	View
241	(+/-)-1,2-Dimethylpropylamine	-0.51	View
242	Pentachlorophenol	3.04	View
243	2,4-Dinitroaniline	1.07	View
244	2,4,6-Bromophenol	1.70	View
245	2,5-Dinitrophenol	1.74	View
246	4,6-Dinitro-2-methylphenol	2.11	View
247	2,6-Dinitrophenol	0.67	View
248	Pentabromophenol	3.72	View
249	2,3,4,6-Tetrachlorophenol	2.35	View
250	4-Phenylazophenol	2.23	View
251	Pentachloropyridine	2.73	View
252	2,3,5,6-Tetrachloroaniline	2.93	View
253	4-(tert)Butyl-2,6-dinitrophenol	2.65	View
254	2,3,4,5-Tetrachlorophenol	2.75	View
255	Allylisothiocyanate	3.06	View
256	2-Methyl-1,4-naphthquinone	3.19	View
257	4-Phenoxybenzaldehyde	1.63	View
258	Methylmethacrylate	-0.41	View
259	1-Chloro-2-nitrobenzene	0.73	View
260	Allylmethacrylate	2.11	View
261	2-Methylbuteraldehyde	0.94	View
262	4-Dimethlaminobenzaldhyde	0.51	View
263	1,4-Dinitrobenzene	2.37	View
264	Benzaldehyde	0.92	View
265	4-Chlorobenzaldehyde	1.81	View
266	Isobutylacrylate	1.79	View
267	2-Propenal	3.45	View
268	3-Butenenitrile	-0.43	View
269	Valeraldehyde	0.81	View
270	4-Amino-2-nitrophenol	0.63	View
271	2,4-Nitrotoluene	0.88	View
272	1-Chloro-3-nitrobenzene	0.92	View
273	2-Chloro-4-nitroaniline	0.93	View
274	4-Isopropylbenzaldehyde	1.35	View
275	2-Methylvaleraldehyde	0.73	View
276	2,4-Pentanedione	-0.24	View
277	Butyraldehyde	0.65	View
278	Ethylacrylate	1.60	View
279	2-Aminoethanol	-1.53	View
280	1-Fluoro-4-nitrobenzene	0.70	View
281	2-Fluorobenzaldehyde	1.96	View
282	3-Pyridincarboxaldehyde	0.82	View
283	2-Tolualdehyde	0.36	View
284	2-Nitrobenzaldehyde	0.96	View
285	4-Nitrobenzaldehyde	1.18	View
286	2,4-Dimethoxbenzaldehyde	0.92	View
287	Methyl-4-nitrobenzoate	0.88	View
288	4-Nitrobenzamide	0.10	View
289	Pentafluorobenzaldehyde	2.25	View
290	Pentafluoroaniline	0.69	View
291	2-Hydroxyethylacrylate	1.38	View
292	2-Hydroxyethylmethacrylate	-0.24	View
293	2,4-Dichlorobenzaldehyde	1.99	View
294	2-Hydroxypropylacrylate	1.59	View
295	Tetrachlorocatechol	2.29	View
296	2-Ethoxyethylmethacrylate	0.76	View
297	Benzylmethacrylate	1.58	View
298	N-Hexylacrylate	2.16	View
299	Cyclohexylacrylate	2.02	View
300	2,4,5-Trimethoxybenzaldehyde	0.60	View
301	Isopropylmethacrylate	0.53	View
302	2-Amino-5-chlorobenzonitrile	0.73	View
303	1,3,5-Trichloro-2,4-dinitrobenzene	3.09	View
304	2-Chloro-5-nitrobenzaldehyde	1.69	View
305	4-Ethoxybenzaldehyde	0.73	View
306	3-Hydroxy-2-nitropyridine	-0.08	View
307	1,3-Dichloro-4,6-dinitrobenzene	3.72	View
308	5-Hydroxy-2-nitrobenzaldehyde	0.60	View
309	Methyl-2,5-dichlorobenzoate	1.17	View
310	2,3-Dibromopropanol	0.49	View
311	3,5-Dibromo-4-hydroxybenzonitrile	1.38	View
312	2,4-Dichlorobenzamide	0.30	View
313	Diethylchloromalonate	2.31	View
314	N-Vinylcarbazole	4.78	View
315	1,3-Dichloro-4,6-dinitrobenzene	3.80	View
316	2,2,2-Trichloroethanol	-0.30	View
317	2-Chloroethanol	0.34	View
318	1-Chloro-2-propanol	-0.41	View
319	3-Chloro-1-propanol	-0.93	View
320	2,3,4,5,6-Pentafluoroaniline	0.69	View
321	2,2-Dichloroacetamide	-0.27	View
322	2-Chloro-6-methylbenzonitrile	1.00	View
323	4-Dimethylaminocinnamaldehyde	1.47	View
324	2-Propyn-1-ol	1.56	View
325	2-Butyn-1,4-diol	0.21	View
326	Catechol	1.08	View
327	2-Butyn-1-ol	0.84	View
328	3-Butyn-1-ol	0.29	View
329	2-Decyn-1-ol	2.16	View
330	3-Butyn-2-ol	0.78	View
331	1,5-hexadien-3-ol	0.41	View
332	1-Amino-2-propanol	-1.53	View
333	Hexanoicacid	-0.44	View
334	Triethanolamine	-1.90	View
335	1-Amino-2-propanol	-1.53	View
336	Diethanolamine	-1.65	View
337	N,N-Diethylethanolamine	-1.18	View

Search

Chemical search

Advanced Search

Browse

All of QsarDB
Communities & Collections By Submit Date Authors Titles Journals Endpoints Species Descriptor calculation software Modeling software Model type
This Collection
By Submit Date Authors Titles Journals Endpoints Species Descriptor calculation software Modeling software Model type

10967/32 - QDB Compounds

QsarDB Repository

Ren, S.; Frymier, P.D.; Schultz, T.W. An exploratory study of the use of multivariate techniques to determine mechanisms of toxic action. Ecotoxicol. Environ. Saf. 2003, 55, 1, 86–97.

Search

Browse

All of QsarDB

This Collection

My Account