10967/75 - QDB Compounds

QsarDB Repository

Schultz, T.W.; Ralston, K.E.; Roberts, D.W.; Veith, G.D.; Aptula, A.O. Structure-activity relationships for abiotic thiol reactivity and aquatic toxicity of halo-substituted carbonyl compounds. SAR QSAR Environ. Res. 2007, 18, 1-2, 21–29.

27 compounds | Property IGC50: 40-h Tetrahymena toxicity as IGC50 [mmol/L]

IDNameIGC50Details
1Ethyl iodoacetate0.0012View
2Ethyl acetateNTASView
32-Bromoacetophenone0.0015View
4AcetophenoneNTASView
5(2-Bromoethyl)benzeneNTASView
62-Chloroacetamide0.92View
7PropionamideNTASView
8Ethyl bromoacetate0.0021View
9Ethyl chloroacetate0.088View
10Ethyl fluoroacetateNTASView
11Propyl bromoacetate0.0049View
12Propyl chloroacetate0.066View
132-Bromoacetamide0.03View
14Methyl bromoacetate0.011View
15Methyl 3-bromopropionate0.094View
16Methyl 4-bromobutyrate0.855View
17Methyl 5-bromovalerateNTASView
18Methyl 2-bromopropionate0.066View
19Methyl 2-bromobutyrate0.095View
20Methyl 2-bromooctanoateNTASView
212-(2-Bromoacetyl)naphthalene0.0011View
221-(Bromoacetyl)pyrene0.0041View
233-(Bromoacetyl)coumarin0.0022View
242-(2-Bromoacetyl)thiophene0.006View
25tert-Butyl bromoacetate0.0039View
26Methyl chloroacetate0.131View
27tert-Butyl chloroacetate0.136View

Bibliography

  1. Schultz, T. W.; Ralston, K. E.; Roberts, D. W.; Veith, G. D.; Aptula, A. O. Structure-activity relationships for abiotic thiol reactivity and aquatic toxicity of halo-substituted carbonyl compounds. SAR QSAR Environ. Res. 2007, 18, 21–29. http://dx.doi.org/10.1080/10629360601033424

  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