Netzeva, T.I.; Schultz, T.W.; Aptula, A.O.; Cronin, M.T.D. Partial Least Squares Modelling of the Acute Toxicity of Aliphatic Compounds to Tetrahymena pyriformis. SAR QSAR Environ. Res. 2003, 14, 4, 265–283.

476 compounds | Property pIGC50: 40-h Tetrahymena toxicity as log(1/IGC50) [log(L/mmol)]

ID	Name	pIGC50	Details
1	Methyl alcohol	-2.666	View
2	1,4-Butanediol	-2.237	View
3	cis-2-Buten-1,4-diol	-2.150	View
4	Ethyl alcohol	-1.991	View
5	Ethyl cyanide	-1.972	View
6	2-Methyl-2,4-pentanediol	-1.953	View
7	2-Amino-2-methyl-propanol (neutralised)	-1.932	View
8	2-Butyn-1,4-diol	-1.884	View
9	3-Butyn-1-ol	-1.839	View
10	2-(Methylamino)ethanol (neutralised)	-1.820	View
11	2-Methoxyethylamine (neutralised)	-1.790	View
12	Triethanolamine (non-neutralised)	-1.749	View
13	2-Butanone	-1.746	View
14	3-Ethoxypropylamine (neutralised)	-1.703	View
15	2-(Propylamino)ethanol (neutralised)	-1.684	View
16	1,4-Cyclohexanedione	-1.668	View
17	Succinic acid disodium salt	-1.651	View
18	2-(Ethylamino)ethanol (neutralised)	-1.649	View
19	(+/-)-4-Pentyn-2-ol	-1.632	View
20	Isopropyl cyanide	-1.619	View
21	Methyl propionate	-1.609	View
22	Isopropyl acetate	-1.590	View
23	Malonic acid disodium salt monohydrate	-1.578	View
24	(+/-)-2-Butanol	-1.542	View
25	4-Penten-2-ol	-1.517	View
26	N,N-Diethylethanolamine (neutralised)	-1.496	View
27	1-Chloro-2-propanol	-1.492	View
28	2-Buten-1-ol	-1.472	View
29	Propionic acid sodium salt	-1.450	View
30	Propyl cyanide	-1.441	View
31	4-Pentyn-1-ol	-1.420	View
32	5-Hexyn-3-ol	-1.404	View
33	3-Penten-2-ol	-1.401	View
34	2-Methyl-3-buten-2-ol	-1.389	View
35	2-Methyl-1-propanol	-1.372	View
36	tert-Butyl formate	-1.372	View
37	2-Hexanone	-1.344	View
38	3-Methyl-1-pentyn-3-ol	-1.323	View
39	Isobutyl formate	-1.308	View
40	5-Hexyn-1-ol	-1.295	View
41	Ethyl isobutyrate	-1.271	View
42	ε-Caprolactone	-1.261	View
43	Methyl butyrate	-1.246	View
44	γ-Caprolactone	-1.240	View
45	Propyl acetate	-1.238	View
46	2-Pentanone	-1.222	View
47	4-Penten-1-ol	-1.215	View
48	Diethyl acetamidomalonate	-1.204	View
49	1-Bromo-2-propanol	-1.189	View
50	1-Pentyn-3-ol	-1.178	View
51	tert-Amylalcohol	-1.173	View
52	Dimethyl glutarate	-1.168	View
53	(+/-)-Methyl-2-methylbutyrate	-1.165	View
54	1-Dimethylamino-2-propyne	-1.145	View
55	cis-2-Penten-1-ol	-1.105	View
56	2-Butanone oxime	-1.070	View
57	(+/-)-3-Buten-2-ol	-1.053	View
58	1-Pentanol	-1.030	View
59	Propyl formate	-1.022	View
60	3-Chloropropionitrile	-0.999	View
61	3-Methyl-2-butanol	-0.996	View
62	N-Methylpropargylamine	-0.982	View
63	n-Butylcarbamate	-0.966	View
64	2-Methyl-1-butanol	-0.953	View
65	Ethyl propionate	-0.945	View
66	Butyl formate	-0.934	View
67	4-Chlorobutyronitrile	-0.930	View
68	3-Amino-2,2-dimethyl-1-propanol (non-neutralised)	-0.925	View
69	N,N-Dimethylethylamine	-0.908	View
70	(+/-)-Ethyl-2-methylbutyrate	-0.889	View
71	Allyl propionate	-0.879	View
72	5-Methyl-5-hexen-2-one	-0.875	View
73	2-Butyn-1-ol	-0.868	View
74	2-Chloropropionitrile	-0.863	View
75	Diethyl succinate	-0.851	View
76	Methyl valerate	-0.845	View
77	(+/-)-2-Amino-1-methoxypropane (non-neutralised)	-0.833	View
78	Propyl propionate	-0.815	View
79	1-Hexen-3-ol	-0.811	View
80	N-Methylpropylamine	-0.809	View
81	1,3-Dichloro-2-propanol	-0.793	View
82	n-Amyl formate	-0.783	View
83	trans-3-Hexen-1ol	-0.777	View
84	4-Bromobutyric acid (non-neutralised)	-0.771	View
85	4-Chloro-1-butanol	-0.759	View
86	N,N-Diethylmethylamine	-0.756	View
87	3,3-Dimethyl-1-butanol	-0.737	View
88	2-Amino-3,3-dimethyl-butanol (non-neutralised)	-0.718	View
89	Malonic acid (non-neutralised)	-0.709	View
90	2,4-Dimethyl-3-pentanol	-0.705	View
91	Diethyl sulfate	-0.698	View
92	5-Bromovaleric acid (non-neutralised)	-0.693	View
93	Hexanoic acid sodium salt	-0.680	View
94	N-Methylbutylamine	-0.678	View
95	DL-2-Amino-1-pentanol (non-neutralised)	-0.672	View
96	4-Heptanone	-0.669	View
97	2-Amino-3-methyl-1-pentanol (non-neutralised)	-0.659	View
98	Vinyl propionate	-0.653	View
99	Vinylacetic acid	-0.642	View
100	Diethyl-4-oxopimelate	-0.638	View
101	Allyl butyrate	-0.636	View
102	2-Amino-4-methyl-pentanol (non-neutralised)	-0.619	View
103	Adipic acid (non-neutralised)	-0.606	View
104	DL-2-Amino-3-methyl-1-butanol (neutralised)	-0.585	View
105	2-Bromoisobutyric acid (non-neutralised)	-0.585	View
106	Isoamylamine	-0.577	View
107	2-Pentyn-1-ol	-0.572	View
108	Methyl hexanoate	-0.561	View
109	3,5-Dimethyl-1-hexyne-3-ol	-0.553	View
110	Crotonic acid (non-neutralised)	-0.545	View
111	Suberic acid (non-neutralised)	-0.512	View
112	Ethyl 3-chloropropionate	-0.498	View
113	Isopropenyl acetate	-0.489	View
114	Butyl acetate	-0.486	View
115	Propionaldehyde	-0.486	View
116	4-Methyl-2-heptyn-4-ol	-0.482	View
117	2-Methylvaleraldehyde	-0.475	View
118	4-Bromobutyronitrile	-0.466	View
119	3-Hexyne-2,5-diol	-0.460	View
120	6-Methyl-5-hepten-2-one	-0.452	View
121	Ethyl 2-chloropropionate	-0.431	View
122	tert-Butyl propionate	-0.410	View
123	2-Hexyn-1-ol	-0.384	View
124	n-Hexyl formate	-0.382	View
125	Butyraldehyde	-0.381	View
126	1-Hexanol	-0.379	View
127	5-Octyn-3-ol	-0.376	View
128	3,3-Dimethylbutyraldehyde	-0.374	View
129	Valeryl chloride	-0.345	View
130	Isobutyric acid (non-neutralised)	-0.333	View
131	3-Heptyn-1-ol	-0.323	View
132	Propiolic acid (non-neutralised)	-0.294	View
133	Ethyl 4-chlorobutyrate	-0.281	View
134	Methyl trans-3-pentenoate	-0.276	View
135	4-Methylvaleric acid (non-neutralised)	-0.272	View
136	Sebacic acid (non-neutralised)	-0.268	View
137	1-Heptyn-3-ol	-0.265	View
138	Butyl sulfoxide	-0.257	View
139	Trimethylacetic acid (non-neutralised)	-0.254	View
140	Hexyl cyanide	-0.237	View
141	trans-3-Hexenoic acid (non-neutralised)	-0.222	View
142	5-Bromovaleronitrile	-0.215	View
143	4-Hexyn-3-ol	-0.195	View
144	1-Bromobutane	-0.180	View
145	3-Ethyl-2,2-dimethyl-3-pentanol	-0.169	View
146	2-Octanone	-0.146	View
147	trans-2-Hexenoic acid (non-neutralised)	-0.128	View
148	2-Ethylbutyl acetate	-0.120	View
149	1,10-Decanedicarboxylic acid (non-neutralised)	-0.086	View
150	Octanoic acid sodium salt	-0.080	View
151	Diethyl isopropylidene malonate	-0.073	View
152	Diethyl allylmalonate	-0.056	View
153	3-Bromopropionic acid (non-neutralised)	-0.044	View
154	5-Nonyl-3-ol	-0.043	View
155	4-Heptyn-3-ol	-0.034	View
156	4-Methyl-1-pentyn-3-ol	-0.027	View
157	Hexyl acetate	-0.009	View
158	Propyl sulfide	-0.003	View
159	2-Octanol	0.001	View
160	Propyl valerate	0.009	View
161	3-Octyn-1-ol	0.017	View
162	2-Propylpentanoic acid (non-neutralised)	0.026	View
163	3-Octanol	0.031	View
164	Ethyl hexanoate	0.064	View
165	2-Ethylhexanoic acid (non-neutralised)	0.076	View
166	Di-n-propyl sulfite	0.086	View
167	Methyl heptanoate	0.104	View
168	2,2,2-Tribromoethanol	0.113	View
169	Ethyl-3-bromopropionate	0.126	View
170	Diethyl propylmalonate	0.134	View
171	Ethyl-2-bromoiosbutyrate	0.152	View
172	Amyl acetate	0.163	View
173	Butyl propionate	0.170	View
174	2-Octenoic acid (non-neutralised)	0.209	View
175	Allyl hexanoate	0.213	View
176	1,10-Decanediol	0.224	View
177	Heptyl cyanide	0.283	View
178	5-Bromopentylacetate	0.293	View
179	Hexanoyl chloride	0.340	View
180	3,7-Dimethyl-3-octanol	0.340	View
181	Nonanoic acid (non-neutralised)	0.351	View
182	trans-2-Octen-1-ol	0.365	View
183	2-Methyl-5-octyn-4-ol	0.401	View
184	Octanoyl chloride	0.415	View
185	Heptanoyl chloride	0.459	View
186	1-Bromopentane	0.484	View
187	2-Bromooctanoic acid (non-neutralised)	0.491	View
188	2,4-Nonanedione	0.506	View
189	3-Hexyn-2-ol	0.511	View
190	Dibutyl succinate	0.512	View
191	Butyl butyrate	0.516	View
192	Diethyl butylmalonate	0.557	View
193	1-Octanol	0.583	View
194	trans-2-Nonenoic acid (non-neutralised)	0.600	View
195	2-Nonanol	0.618	View
196	Octyl cyanide	0.625	View
197	1,6-Hexanedithiol	0.626	View
198	Diethyl chloromalonate	0.635	View
199	2-Nonyn-1-ol	0.649	View
200	2-Nonanone	0.660	View
201	Diethyl suberate	0.702	View
202	Allyl heptanoate	0.728	View
203	trans-2-Nonen-1-ol	0.752	View
204	Ethyl-2-bromobutyrate	0.764	View
205	Dibutyl adipate	0.792	View
206	Chloroacetonitrile	0.845	View
207	1-Nonanol	0.855	View
208	Undecanoic acid (non-neutralised)	0.898	View
209	cis-7-Decen-1-al	0.949	View
210	2-Decyn-1-ol	0.986	View
211	Dimethyl sebacate	1.011	View
212	Methyl-2-bromobutyrate	1.024	View
213	Methyl nonanoate	1.042	View
214	1,6-Dibromohexane	1.046	View
215	Octyl acetate	1.057	View
216	3-Decyn-1-ol	1.127	View
217	1,2-Dibromohexane	1.146	View
218	trans-4-Decen-1-al	1.208	View
219	8-Bromooctanoic acid (non-neutralised)	1.323	View
220	Diethyl sebacate	1.354	View
221	Methyl undecanoate	1.425	View
222	3-Chloro-2,4-pentanedione	1.444	View
223	Ethyl 2-bromooctanoate	1.499	View
224	trans-2-Undecen-1-ol	1.611	View
225	Decyl cyanide	1.650	View
226	Dibutyl suberate	1.656	View
227	Undecylic aldehyde	1.690	View
228	Nonylamine	1.701	View
229	Butyl isothiocyanate	1.721	View
230	1,4-Dibromo-2,3-butanedione	1.762	View
231	Decyl acetate	1.879	View
232	Undecyl cyanide	1.903	View
233	1-Undecanol	1.955	View
234	Decylamine	2.056	View
235	2-Dodecen-1-ol	2.092	View
236	Ethyl 2,3-dibromopropionate	2.208	View
237	1,3-Propylene diisothiocyanate	2.721	View
238	Methyl cyanide	-2.277	View
239	Acetone	-2.204	View
240	(+/-)-1,2-Butanediol	-2.048	View
241	Methyl carbamate	-1.975	View
242	2,5-Hexanediol	-1.960	View
243	1,5-Pentanediol	-1.934	View
244	2-Propen-1-ol	-1.918	View
245	2-Propanol	-1.882	View
246	Succinonitrile	-1.824	View
247	2-Methyl-2-propanol	-1.791	View
248	5-Amino-1-pentanol (neutralised)	-1.765	View
249	1-Propanol	-1.746	View
250	γ-Butyrolactone	-1.717	View
251	3-Buten-1-ol	-1.695	View
252	2-(tert-Butylamino)ethanol (neutralised)	-1.673	View
253	2-Methyl-2-propen-1-ol	-1.663	View
254	Ethyl carbamate	-1.650	View
255	Glutaronitrile	-1.638	View
256	1,2-Pentanediol	-1.627	View
257	Acetaldoxime	-1.610	View
258	Methyl acetate	-1.595	View
259	2,5-Dimethyl-3-hexyne-2,5-diol	-1.585	View
260	γ-valerolactone	-1.569	View
261	1,4-Dicyanobutane	-1.538	View
262	Methyl formate	-1.498	View
263	1,6-Hexanediol	-1.495	View
264	Allyl cyanide	-1.479	View
265	3-Pentanone	-1.456	View
266	3,3-Dimethyl-2-butanone	-1.442	View
267	1-Butanol	-1.431	View
268	2-Chloroethanol	-1.417	View
269	2,5-Hexanedione	-1.403	View
270	3-Chloro-1-propanol	-1.399	View
271	2-Butoxyethanol	-1.374	View
272	Butyric acid soduim salt	-1.372	View
273	1-Penten-3-ol	-1.348	View
274	tert-Butyl cyanide	-1.326	View
275	2-Methyl-3-butyn-2-ol	-1.311	View
276	Ethyl acetate	-1.297	View
277	Dimethyl malonate	-1.287	View
278	(+/-)-1,2-Hexanediol	-1.267	View
279	Acetone oxime	-1.249	View
280	3-Pentanol	-1.244	View
281	3-Methyl-2-buten-1-ol	-1.239	View
282	Cyclohexanone	-1.233	View
283	n-Propylsulfoxide	-1.221	View
284	4-Methyl-2-pentanone	-1.209	View
285	α-Methyl-δ-butyrolactone	-1.190	View
286	3-Methyl-3-buten-1-ol	-1.185	View
287	3-Pentyn-1-ol	-1.175	View
288	3-Methyl-2-butanone	-1.169	View
289	Propargyl acetate	-1.166	View
290	2-Pentanol	-1.160	View
291	5-Hexen-2-one	-1.141	View
292	2-Propyn-1-ol	-1.074	View
293	Dimethyl succinate	-1.057	View
294	3-Methyl-1-butanol	-1.036	View
295	3-Hexyn-1-ol	-1.024	View
296	Butyl cyanide	-1.007	View
297	Diethyl malonate	-0.998	View
298	2,2-Dichloroethanol	-0.990	View
299	Butyric acid hydrazide	-0.972	View
300	6-Amino-1-hexanol (non-neutralised)	-0.958	View
301	trans-3-Pentenitrile	-0.953	View
302	Succinic acid (non-neutralised)	-0.940	View
303	3-Bromo-1-propanol	-0.933	View
304	1,3-Cyclohexanedione (neutralised)	-0.929	View
305	1,1-Dimethylpropargylamine	-0.910	View
306	tert-Butylamine	-0.897	View
307	2-Butynyl acetate	-0.883	View
308	Isobutyl cyanide	-0.876	View
309	2,2-Dimethyl-1-propanol	-0.870	View
310	Isopropylamine	-0.864	View
311	Vinyl acetate	-0.860	View
312	2-Bromoethanol	-0.846	View
313	5-Hexen-1-ol	-0.841	View
314	Propargylamine	-0.826	View
315	1-Ethylpropylamine	-0.813	View
316	cis-3-Hexen-1-ol	-0.809	View
317	Cyclohexanone oxime	-0.796	View
318	Isopentyl cyanide	-0.786	View
319	3-Chloro-2,2-dimethyl-1-propanol	-0.782	View
320	cis-2-Hexen-1-ol	-0.777	View
321	Cyclohexanol	-0.766	View
322	(+/-)-β-Butyrolactone	-0.759	View
323	4-Hexen-1-ol	-0.754	View
324	Ethyl isovalerate	-0.723	View
325	(+/-)-1,2-Dimethylpropylamine	-0.710	View
326	Propylamine	-0.708	View
327	tert-Amylamine	-0.698	View
328	Isobutyl propionate	-0.694	View
329	1-Methylbutylamine	-0.685	View
330	(+/-)-sec-Butyl acetate	-0.679	View
331	4-Chlorobutyric acid (non-neutralised)	-0.677	View
332	(+/-)-sec-Butylamine	-0.671	View
333	3,3-dimethylglutaric acid (non-neutralised)	-0.664	View
334	Propargyl propionate	-0.655	View
335	5-Methyl-2-hexanone	-0.646	View
336	Glutaric acid (non-neutralised)	-0.639	View
337	4-Methyl-1-pentanol	-0.637	View
338	5-Chlorovaleronitrile	-0.635	View
339	4-Heptyn-2-ol	-0.616	View
340	Isobutyl isobutyrate	-0.591	View
341	DL-2-Amino-1-hexanol (non-neutralised)	-0.585	View
342	Pimelic acid (non-neutralised)	-0.585	View
343	Butylamine	-0.574	View
344	Butyric acid (non-neutralised)	-0.572	View
345	2-Penten-4-yn-1-ol	-0.555	View
346	2-Bromoisovaleric acid (non-neutralised)	-0.549	View
347	Propionic acid (non-neutralised)	-0.512	View
348	Diethyl methylmalonate	-0.511	View
349	Ethyl butyrate	-0.490	View
350	2-Heptanone	-0.487	View
351	2,3-Dibromopropanol	-0.486	View
352	Amylamine	-0.485	View
353	2-Methylbutylamine	-0.477	View
354	trans-2-Hexen-1-ol	-0.472	View
355	2,2,2-Trichloroethanol	-0.465	View
356	3-Bromo-2,2-dimethyl-1-propanol	-0.460	View
357	Isobutyraldehyde	-0.433	View
358	Propyl butyrate	-0.414	View
359	3-Butyn-2-ol	-0.402	View
360	Vinyl butyrate	-0.383	View
361	3,5-Heptanedione	-0.382	View
362	γ-Octanoic lactone	-0.380	View
363	Diethyl-3-oxopimelate	-0.378	View
364	Pentyl cyanide	-0.376	View
365	Ethyl valerate	-0.358	View
366	Isovaleric acid (non-neutralised)	-0.342	View
367	3-Chloropropionic acid (non-neutralised)	-0.332	View
368	2-Methylbuteraldehyde	-0.311	View
369	5-Chlorovaleric acid (non-neutralised)	-0.286	View
370	trans-2-Pentenoic acid (non-neutralised)	-0.277	View
371	6-Chloro-1-hexanol	-0.273	View
372	2,4-Pentanedione	-0.272	View
373	Valeric acid (non-neutralised)	-0.267	View
374	Isobutylamine	-0.262	View
375	Butyl sulfone	-0.256	View
376	Diethyl ethylmalonate	-0.242	View
377	3-Methylvaleric acid (non-neutralised)	-0.233	View
378	Hexylamine	-0.220	View
379	Hexanoic acid (non-neutralised)	-0.208	View
380	2-Heptyn-1-ol	-0.190	View
381	Hexylaldehyde	-0.173	View
382	2-Ethylbutyric acid (non-neutralised)	-0.152	View
383	5-Chloropentylacetate	-0.131	View
384	Diethyl adipate	-0.127	View
385	Heptanoic acid (non-neutralised)	-0.113	View
386	Methyl-5-bromovalerate	-0.080	View
387	(+/-)-δ-decanolactone	-0.077	View
388	2-Octynoic acid (non-neutralised)	-0.057	View
389	2-Ethylbutyraldehyde	-0.054	View
390	Amyl propionate	-0.043	View
391	2-Bromovaleric acid (non-neutralised)	-0.042	View
392	Ethyl-4-bromobutyrate	-0.029	View
393	Valeraldehyde	-0.022	View
394	Cyclohexyl mercaptan	-0.004	View
395	Heptaldehyde	-0.002	View
396	6-Bromo-1-hexanol	0.007	View
397	γ-Nonanoic lactone	0.014	View
398	Ethyl 2-bromoisovalerate	0.021	View
399	6-Bromohexanoic acid (non-neutralised)	0.031	View
400	trans-2-Hepten-1-ol	0.045	View
401	5-Nonanone	0.074	View
402	Octanoic acid (non-neutralised)	0.081	View
403	2-Heptanone oxime	0.103	View
404	1-Heptanol	0.105	View
405	2-Bromobutyric acid (non-neutralised)	0.122	View
406	2,4-Octanedione	0.130	View
407	2-Propyl-1-pentanol	0.134	View
408	2-Ethylhexanal	0.161	View
409	2-Ethyl-1-hexanol	0.167	View
410	2-Octyn-1-ol	0.194	View
411	Heptylamine	0.211	View
412	Ethyl-5-bromovalerate	0.218	View
413	3-Chloro-2-butanone	0.269	View
414	7-Chloroheptanonitrile	0.287	View
415	Dimethyl suberate	0.296	View
416	3-Nonyn-1-ol	0.340	View
417	Octylamine	0.351	View
418	tert-Amylisothiocyanate	0.353	View
419	4-Bromobutylacetate	0.392	View
420	Diethyl pimelate	0.407	View
421	2-Bromohexanoic acid (non-neutralised)	0.455	View
422	Octyl aldehyde	0.483	View
423	8-Chloro-1-octanol	0.488	View
424	γ-Decanolactone	0.493	View
425	Decanoic acid (non-neutralised)	0.506	View
426	7-Bromoheptanonitrile	0.512	View
427	2,4-Dibromo-2,4-dimethyl-3-pentanone	0.513	View
428	Methyl octanoate	0.536	View
429	2-Decanone	0.582	View
430	Ethyl-6-bromohexanoate	0.594	View
431	5-Methyl-1-hexyn-3-ol	0.617	View
432	Di-n-butyl sulfate	0.621	View
433	2-Bromopropionitrile	0.626	View
434	3-Decanone	0.627	View
435	1,1-Dichloroacetone	0.641	View
436	1-Hexyn-3-ol	0.657	View
437	Ethyl-2-bromovalerate	0.699	View
438	α-Nonynoic acid (non-neutralised)	0.714	View
439	4-Methyl-1-heptyn-3-ol	0.743	View
440	1,2-Decanediol	0.764	View
441	cis-2-Nonen-1-ol	0.770	View
442	Nonyl aldehyde	0.808	View
443	(+/-)-4-Decanol	0.850	View
444	Ethyl-2-bromohexanoate	0.860	View
445	1-Bromohexane	0.937	View
446	Dichloroacetonitrile	0.973	View
447	3,4-Dibromohexane	0.998	View
448	1-Heptanethiol	1.020	View
449	Butyl sulfide	1.040	View
450	8-Bromo-1-octanol	1.042	View
451	Vinyl-2-ethylhexanoate	1.046	View
452	Ethyl-2-bromopropionate	1.057	View
453	2-Decen-1-ol	1.128	View
454	1,8-Octanedithiol	1.191	View
455	Decyl aldehyde	1.282	View
456	1-Decanol	1.335	View
457	Methyl decanoate	1.378	View
458	Ethyl 2,3-dibromobutyrate	1.438	View
459	1-Bromoheptane	1.487	View
460	2-Undecanone	1.535	View
461	Ethylisothiocyanate	1.627	View
462	Dimethyl brassylate	1.654	View
463	2-Dodecanone	1.670	View
464	Propylisothiocyanate	1.693	View
465	Amylisothiocyanate	1.706	View
466	Hexylisothiocyanate	1.750	View
467	1-Bromooctane	1.870	View
468	Trichloroacetonitrile	1.883	View
469	1,4-Dibromo-2-butene	1.925	View
470	1,3-Dichloroacetone	2.046	View
471	Allyl isothiocyanate	2.061	View
472	2,5-Dibromo-3,4-hexanedione	2.168	View
473	Bromoacetonitrile	2.229	View
474	Undecylamine	2.328	View
475	1-Bromo-3,3-dimethyl-2-butanone	2.377	View
476	Dibromoacetonitrile	2.398	View

Bibliography

Netzeva, T. I.; Schultz, T. W.; Aptula, A. O.; Cronin, M. T. D. Partial Least Squares Modelling of the Acute Toxicity of Aliphatic Compounds to Tetrahymena pyriformis. SAR QSAR Environ. Res. 2003, 14, 265–283. https://doi.org/10.1080/1062936032000101501
Schultz, T. W.; Cronin, M. T. D.; Netzeva, T. I.; Aptula, A. O. Structure-Toxicity Relationships for Aliphatic Chemicals Evaluated with Tetrahymena pyriformis. Chem. Res. Toxicol. 2002, 15, 1602–1609. https://doi.org/10.1021/tx025589p
Schultz, T. W. TETRATOX: Tetrahymena pyriformis population growth impairment endpoint - a surrogate for fish lethality. Toxicol. Mech. Meth. 1997, 7, 289–309. https://doi.org/10.1080/105172397243079

10967/67 - QDB Compounds

QsarDB Repository

Netzeva, T.I.; Schultz, T.W.; Aptula, A.O.; Cronin, M.T.D. Partial Least Squares Modelling of the Acute Toxicity of Aliphatic Compounds to Tetrahymena pyriformis. SAR QSAR Environ. Res. 2003, 14, 4, 265–283.

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