10967/77 - QDB Compounds

QsarDB Repository

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)]

IDNamepIGC50Details
1Furan-1.65View
22-Ethylfuran-0.52View
32,3-Dimethylfuran-0.51View
42-n-Butylfuran0.44View
52-n-Pentyfuran0.92View
6Thiophene-1.44View
73-Methylthiophene-0.70View
82-Ethylthiophene-0.43View
93-n-Butylthiophene0.96View
102-n-Pentylthiophene1.20View
11Pyrrole-1.09View
123-Bromofuran-0.48View
132-Chlorothiophene-0.59View
142-Bromothiophene0.09View
153-Bromothiophene-0.04View
162-Bromo-5-chlorothiophene0.75View
173-Bromo-2-chlorothiophene0.73View
182-Bromo-3-methylthiophene0.62View
192-Bromo-5-methylthiophene0.65View
20Ethyl 2-thiophene acetate0.27View
212-(2-Bromoacetyl)thiophene2.22View
222-Furanacrylonitrile-0.31View
23trans-3-(2-Furyl)acrolein0.37View
242-(2-Nitrovinyl)furan2.04View
252-Acetyl-5-methylfuran-0.83View
262-Furaldehyde-0.02View
27(2-Furanylmethylene)malononitrile0.94View
282-Furonitrile-0.71View
293-Furaldehyde0.00View
302-Acetylfuran-1.04View
31Methyl 2-furoate-0.85View
322-Furoylacetonitrile0.30View
332-Nitrofuran0.74View
345-Methyl-2-furaldehyde-0.03View
355-Chloro-2-furaldehyde0.07View
365-Bromo-2-furaldehyde0.13View
375-Iodo-2-furaldehyde0.33View
385-Nitro-2-furaldehyde2.23View
392-Fumamide-1.44View
402-Propionylfuran-0.77View
412-Acetylthiophene-0.59View
42Thiophene-2-carbonitrile-0.76View
435-Chloro-2-thiophene carbonitrile-0.08View
44Thiophene-2-carboxaldehyde-0.05View
455-Chloro-2-thiophene carboxaldehyde0.62View
462-(Trifluoroacetyl)thiophene-0.10View
47Thiophene-3-carboxaldehyde0.40View
48Thiophene-2-carboxamide-0.97View
492-Nitrothiophene0.51View
505-Nitrothiophene-2-carboxaldehyde1.98View
512-Bromo-5-nitrothiophene1.41View
522-Acetylpyrrole-0.91View
533-Acetylpyrrole-0.85View
543-Acetyl-1-methylpyrrole-1.00View
553-Acetyl-2,4-dimethylpyrrole-0.32View
56Pyrrole-2-carbonitrile-0.58View
57Pyrrole-3-carboxaldehyde-0.48View

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