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10967/77 - QDB Compounds

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Schultz, T.W.; Sparfkin, C.L.; Aptula, A.O. Reactivity-based toxicity modelling of five-membered heterocyclic compounds: Application to Tetrahymena pyriformis. SAR QSAR Environ. Res. 2010, 7, 8, 681–691.

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

ID Name pIGC50 Details
1 Furan -1.65 View
2 2-Ethylfuran -0.52 View
3 2,3-Dimethylfuran -0.51 View
4 2-n-Butylfuran 0.44 View
5 2-n-Pentyfuran 0.92 View
6 Thiophene -1.44 View
7 3-Methylthiophene -0.70 View
8 2-Ethylthiophene -0.43 View
9 3-n-Butylthiophene 0.96 View
10 2-n-Pentylthiophene 1.20 View
11 Pyrrole -1.09 View
12 3-Bromofuran -0.48 View
13 2-Chlorothiophene -0.59 View
14 2-Bromothiophene 0.09 View
15 3-Bromothiophene -0.04 View
16 2-Bromo-5-chlorothiophene 0.75 View
17 3-Bromo-2-chlorothiophene 0.73 View
18 2-Bromo-3-methylthiophene 0.62 View
19 2-Bromo-5-methylthiophene 0.65 View
20 Ethyl 2-thiophene acetate 0.27 View
21 2-(2-Bromoacetyl)thiophene 2.22 View
22 2-Furanacrylonitrile -0.31 View
23 trans-3-(2-Furyl)acrolein 0.37 View
24 2-(2-Nitrovinyl)furan 2.04 View
25 2-Acetyl-5-methylfuran -0.83 View
26 2-Furaldehyde -0.02 View
27 (2-Furanylmethylene)malononitrile 0.94 View
28 2-Furonitrile -0.71 View
29 3-Furaldehyde 0.00 View
30 2-Acetylfuran -1.04 View
31 Methyl 2-furoate -0.85 View
32 2-Furoylacetonitrile 0.30 View
33 2-Nitrofuran 0.74 View
34 5-Methyl-2-furaldehyde -0.03 View
35 5-Chloro-2-furaldehyde 0.07 View
36 5-Bromo-2-furaldehyde 0.13 View
37 5-Iodo-2-furaldehyde 0.33 View
38 5-Nitro-2-furaldehyde 2.23 View
39 2-Fumamide -1.44 View
40 2-Propionylfuran -0.77 View
41 2-Acetylthiophene -0.59 View
42 Thiophene-2-carbonitrile -0.76 View
43 5-Chloro-2-thiophene carbonitrile -0.08 View
44 Thiophene-2-carboxaldehyde -0.05 View
45 5-Chloro-2-thiophene carboxaldehyde 0.62 View
46 2-(Trifluoroacetyl)thiophene -0.10 View
47 Thiophene-3-carboxaldehyde 0.40 View
48 Thiophene-2-carboxamide -0.97 View
49 2-Nitrothiophene 0.51 View
50 5-Nitrothiophene-2-carboxaldehyde 1.98 View
51 2-Bromo-5-nitrothiophene 1.41 View
52 2-Acetylpyrrole -0.91 View
53 3-Acetylpyrrole -0.85 View
54 3-Acetyl-1-methylpyrrole -1.00 View
55 3-Acetyl-2,4-dimethylpyrrole -0.32 View
56 Pyrrole-2-carbonitrile -0.58 View
57 Pyrrole-3-carboxaldehyde -0.48 View

Bibliography

  1. Schultz, T. W.; Sparfkin, C. L.; Aptula, A. O. Reactivity-based toxicity modelling of five-membered heterocyclic compounds: Application to Tetrahymena pyriformis. SAR QSAR Environ. Res. 2010, 7, 681–691. http://dx.doi.org/10.1080/1062936X.2010.528933

  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