Netzeva, T.I.; Schultz, T.W. QSARs for the aquatic toxicity of aromatic aldehydes from Tetrahymena data. Chemosphere 2005, 61, 11, 1632–1643.

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

ID	Name	pIGC50	Details
1	4-Nitrobenzaldehyde	0.203	View
2	1-Naphthaldehyde	0.423	View
3	4-Biphenylcarboxaldehyde	1.119	View
4	4-Bromobenzaldehyde	0.587	View
5	4-Cyanobenzaldehyde	0.043	View
6	Benzaldehyde	-0.196	View
7	p-Tolualdehyde	-0.057	View
8	4-Fluorobenzaldehyde	-0.127	View
9	4-Chlorobenzaldehyde	0.400	View
10	4-Ethylbenzaldehyde	0.291	View
11	Terephthaldicarboxaldehyde	-0.086	View
12	4-Anisaldehyde	-0.047	View
13	4-Ethoxybenzaldehyde	0.073	View
14	4-Acetamidobenzaldehyde	-0.224	View
15	2-Tolualdehyde	0.011	View
16	3-Tolualdehyde	0.081	View
17	2-Chlorobenzaldehyde	0.487	View
18	3-Chlorobenzaldehyde	0.406	View
19	2-Nitrobenzaldehyde	0.167	View
20	3-Nitrobenzaldehyde	0.178	View
21	Phenyl-1,3-dialdehyde	0.183	View
22	2-Anisaldehyde	0.148	View
23	3-Anisaldehyde	0.232	View
24	3-Bromobenzaldehyde	0.506	View
25	3-Fluorobenzaldehyde	0.154	View
26	2,4-Dichlorobenzaldehyde	1.036	View
27	2,4-Dimethoxybenzaldehyde	-0.056	View
28	2,4,5-Trimethoxybenzaldehyde	-0.101	View
29	4-(Dimethylamino)Benzaldehyde	0.231	View
30	4-Phenoxybenzaldehyde	1.257	View
31	2-Bromobenzaldehyde	0.477	View
32	2-Fluorobenzaldehyde	0.079	View
33	4-Butoxybenzaldehyde	0.716	View
34	4-(Pentyloxy)Benzaldehyde	1.179	View
35	4-Isopropylbenzaldehyde	0.670	View
36	Pentafluorobenzaldehyde	0.815	View
37	2-Chloro-5-nitrobenzaldehyde	0.527	View
38	2-Chloro-6-fluorobenzaldehyde	0.155	View
39	3-Cyanobenzaldehyde	-0.020	View
40	2-Chloro-3-hydroxy-4-methoxybenzaldehyde	0.204	View
41	6-Chloro-2-fluoro-3-methylbenzaldehyde	1.238	View
42	3-Chloro-2-fluoro-5-(trifluoromethyl)benzaldehyde	1.723	View
43	2,3,5-Trichlorobenzaldehyde	1.499	View
44	2-Fluorenecarboxaldehyde	1.499	View
45	2-Methyl-1-naphthaldehyde	1.231	View
46	4-Methyl-1-naphthaldehyde	1.123	View
47	Phenanthrene-9-carboxaldehyde	1.708	View
48	5-Hydroxy-2-nitrobenzaldehyde	0.329	View
49	3-Hydroxy-4-nitrobenzaldehyde	0.273	View
50	3-Hydroxybenzaldehyde	0.085	View
51	3-Hydroxy-4-methoxybenzaldehyde	-0.142	View
52	3,4-Dimethoxy-5hydroxycarboxaldehyde	-0.390	View
53	2,3-Dihydroxybenzaldehyde	0.111	View
54	2,5-Dihydroxybenzaldehyde	0.277	View
55	3,4-Dihydroxybenzaldehyde	0.107	View
56	3,4,5-Trihydroxybenzaldehyde	-0.196	View
57	2,3,4-Trihydroxybenzaldehyde	0.001	View
58	2,4,6-Trihydroxybenzaldehyde	0.128	View
59	2,4-Dihydroxybenzaldehyde	0.515	View
60	3-Ethoxy-2-hydroxycarboxaldehyde	0.850	View
61	3-Methoxysalicylaldehyde	0.377	View
62	3,5-Dibromosalicylaldehyde	1.648	View
63	4,6-Dimethoxy-2-hydroxybenzaldehyde	0.617	View
64	2-Hydroxy-3-nitrocarboxaldehyde	0.870	View
65	2-Chloro-4-hydroxycarboxaldehyde	0.890	View
66	4-Hydroxy-3-nitrobenzaldehyde	0.614	View
67	4-Hydroxybenzaldehyde	0.266	View
68	2-Hydroxy-1-naphtaldehyde	1.320	View
69	5-Bromovanillin	0.617	View
70	4-Hydroxy-1-naphtaldehyde	1.050	View
71	5-Bromosalicylaldehyde	1.107	View
72	5-Chlorosalicylaldehyde	1.009	View
73	2-Hydroxybenzaldehyde	0.424	View
74	3-Bromo-4-hydroxycarboxaldehyde	0.610	View
75	3-Methoxy-4-hydroxybenzaldehyde	-0.030	View
76	3,5-Dibromo-4-hydroxycarboxaldehyde	0.890	View
77	3-Ethoxy-4-hydroxybenzaldehyde	0.015	View

Bibliography

Netzeva, T. I.; Schultz, T. W. QSARs for the aquatic toxicity of aromatic aldehydes from Tetrahymena data. Chemosphere 2005, 61, 1632–1643. https://doi.org/10.1016/j.chemosphere.2005.04.040
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

10967/31 - QDB Compounds

QsarDB Repository

Netzeva, T.I.; Schultz, T.W. QSARs for the aquatic toxicity of aromatic aldehydes from Tetrahymena data. Chemosphere 2005, 61, 11, 1632–1643.

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