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10967/8 - QDB Compounds

QsarDB Repository

Schultz, T.W.; Cronin, M.T.D. Response-Surface Analyses for Toxicity to Tetrahymena pyriformis: Reactive Carbonyl-Containing Aliphatic Chemicals. J. Chem. Inf. Comput. Sci. 1999, 39, 2, 304–309.

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

ID Name pIGC50 Details
1 2,3-butanedione -0.23 View
2 3-butyn-2-one 1.97 View
3 2,3-pentanedione -0.16 View
4 3,4-hexanedione -0.01 View
5 2,3-hexanedione -0.21 View
6 2,5-hexanedione -1.40 View
7 2-propenal 1.41 View
8 3-buten-2-one 1.51 View
9 2,3-heptanedione 0.04 View
10 2,4-pentanedione -0.27 View
11 3-penten-2-one 0.54 View
12 2-butenal 0.70 View
13 propionaldehyde -0.65 View
14 3,5-heptanedione -0.38 View
15 isobutyraldehyde -0.43 View
16 butyraldehyde -0.55 View
17 2-methyl-2-butenal -0.14 View
18 3-methyl-2-butenal 0.09 View
19 5-hexen-2-one -1.14 View
20 4-methyl-3-penten-2-one -0.64 View
21 2-pentenal 0.66 View
22 2,4-octanedione 0.13 View
23 2-methylbuteraldehyde -0.39 View
24 2,4-hexadienal 0.75 View
25 isovaleraldehyde -0.33 View
26 5-methyl-5-hexen-2-one -0.87 View
27 valeraldehyde -0.13 View
28 2-methyl-2-pentenal -0.02 View
29 3-hepten-2-one 0.70 View
30 2-hexenal 0.76 View
31 2,4-nonanedione 0.51 View
32 2-ethylbutyraldehyde -0.05 View
33 2-methylvaleraldehyde -0.47 View
34 2,4-heptadienal 0.86 View
35 4-hexen-3-one 0.93 View
36 hexylaldehyde -0.17 View
37 2-heptenal 1.05 View
38 6-methyl-5-hepten-2-one -0.45 View
39 3-octen-2-one 0.74 View
40 1-octen-3-one 1.91 View
41 2,4-dimethyl-2,6-heptadienal 0.08 View
42 heptaldehyde -0.00 View
43 3-nonen-2-one 0.98 View
44 2-octenal 1.20 View
45 2,6-nonadienal 1.34 View
46 2-ethylhexylaldehyde 0.16 View
47 2,4-nonadienal 1.22 View
48 octylaldehyde 0.45 View
49 2-nonenal 1.60 View
50 nonylaldehyde 0.81 View
51 7-decenaldehyde 0.95 View
52 2-decenal 1.85 View
53 decylaldehyde 1.28 View
54 4-decenaldehyde 1.21 View
55 undecylaldehyde 1.60 View
56 dodecylaldehyde 1.76 View

Bibliography

  1. Schultz, T. W.; Cronin, M. T. D. Response-Surface Analyses for Toxicity to Tetrahymena pyriformis: Reactive Carbonyl-Containing Aliphatic Chemicals. J. Chem. Inf. Comp. Sci. 1999, 39, 304–309. http://dx.doi.org/10.1021/ci9800965

  2. Schultz, T. W. TETRATOX: Tetrahymena pyriformis population growth impairment endpoint - a surrogate for fish lethality. Toxicol. Mech. Meth. 1997, 7, 289–309. http://dx.doi.org/10.1080/105172397243079