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)]

IDNamepIGC50Details
12,3-butanedione-0.23View
23-butyn-2-one1.97View
32,3-pentanedione-0.16View
43,4-hexanedione-0.01View
52,3-hexanedione-0.21View
62,5-hexanedione-1.40View
72-propenal1.41View
83-buten-2-one1.51View
92,3-heptanedione0.04View
102,4-pentanedione-0.27View
113-penten-2-one0.54View
122-butenal0.70View
13propionaldehyde-0.65View
143,5-heptanedione-0.38View
15isobutyraldehyde-0.43View
16butyraldehyde-0.55View
172-methyl-2-butenal-0.14View
183-methyl-2-butenal0.09View
195-hexen-2-one-1.14View
204-methyl-3-penten-2-one-0.64View
212-pentenal0.66View
222,4-octanedione0.13View
232-methylbuteraldehyde-0.39View
242,4-hexadienal0.75View
25isovaleraldehyde-0.33View
265-methyl-5-hexen-2-one-0.87View
27valeraldehyde-0.13View
282-methyl-2-pentenal-0.02View
293-hepten-2-one0.70View
302-hexenal0.76View
312,4-nonanedione0.51View
322-ethylbutyraldehyde-0.05View
332-methylvaleraldehyde-0.47View
342,4-heptadienal0.86View
354-hexen-3-one0.93View
36hexylaldehyde-0.17View
372-heptenal1.05View
386-methyl-5-hepten-2-one-0.45View
393-octen-2-one0.74View
401-octen-3-one1.91View
412,4-dimethyl-2,6-heptadienal0.08View
42heptaldehyde-0.00View
433-nonen-2-one0.98View
442-octenal1.20View
452,6-nonadienal1.34View
462-ethylhexylaldehyde0.16View
472,4-nonadienal1.22View
48octylaldehyde0.45View
492-nonenal1.60View
50nonylaldehyde0.81View
517-decenaldehyde0.95View
522-decenal1.85View
53decylaldehyde1.28View
544-decenaldehyde1.21View
55undecylaldehyde1.60View
56dodecylaldehyde1.76View

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. https://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. https://doi.org/10.1080/105172397243079