10967/10 - QDB Compounds

QsarDB Repository

Cronin, M.T.D.; Schultz, T.W. Development of Quantitative Structure-Activity Relationships for the Toxicity of Aromatic Compounds to Tetrahymena pyriformis: Comparative Assessment of the Methodologies. Chem. Res. Toxicol. 2001, 14, 9, 1284–1295.

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

IDNamepIGC50RefDetails
12-nitrobenzoic acid-1.64[1]View
23-amino-4-hydroxybenzene sulfonic acid-1.50[2]View
33-nitrobenzoic acid-1.09[1]View
43-hydroxybenzyl alcohol-1.04[2]View
54-hydroxybenzoic acid-1.02[2]View
62-hydroxybenzyl alcohol-0.95[2]View
74-nitrobenzoic acid-0.86[1]View
84-hydroxyphenethyl alcohol-0.83[2]View
94-cyanopyridine-0.82[3]View
104-hydroxyacetanilide-0.82[2]View
113-hydroxybenzoic acid-0.81[2]View
122-cyanopyridine-0.79[3]View
134-hydroxybenzamide-0.78[2]View
143-cyanopyridine-0.74[3]View
152-nitrobenzamide-0.72[1]View
163-cyano-4,6-dimethyl-2-hydroxypyridine-0.70[3]View
172,6-dimethoxyphenol-0.60[2]View
183-aminophenol-0.52[2]View
19benzonitrile-0.52[3]View
20salicylic acid-0.51[2]View
212-methoxyphenol-0.51[2]View
222-aminobenzonitrile-0.50[3]View
233-aminobenzonitrile-0.47[3]View
243-hydroxyacetophenone-0.38[2]View
254-cyanobenzamide-0.38[3]View
264-methylcyanophenol-0.38[2]View
274-cyanoacetophenone-0.37[3]View
282-ethoxyphenol-0.36[2]View
291,2-dicyanobenzene-0.34[3]View
303-methoxyphenol-0.33[2]View
312-methylphenol-0.30[2]View
323-ethoxy-4-methoxyphenol-0.30[2]View
334-hydroxyacetophenone-0.30[2]View
344-fluorobenzonitrile-0.26[3]View
353-tolunitrile-0.25[3]View
36salicylamide-0.24[2]View
372-tolunitrile-0.24[3]View
383-nitrobenzyl alcohol-0.22[1]View
39phenol-0.21[2]View
403-nitrobenzamide-0.19[1]View
414-cresol-0.18[2]View
423-acetamidophenol-0.16[2]View
432,4,6-trinitrophenol-0.16[2]View
442-nitrobenzyl alcohol-0.16[1]View
454-methoxyphenol-0.14[2]View
46Isovanillin-0.14[2]View
474-tolunitrile-0.10[3]View
483,5-dimethoxyphenol-0.09[2]View
494-aminophenol-0.08[2]View
503-methylphenol-0.06[2]View
513-cyanophenol-0.06[3,2]View
523-chlorobenzonitrile-0.06[3]View
53methyl-4-cyanobenzoate-0.06[3]View
54methyl-3-hydroxybenzoate-0.05[2]View
553-methoxy-4-hydroxybenzaldehyde-0.03[2]View
563-cyanobenzaldehyde-0.02[3]View
574-chlorobenzonitrile0.00[3]View
584-ethoxyphenol0.01[2]View
593-ethoxy-4-hydroxybenzaldehyde0.02[2]View
604-fluorophenol0.02[2]View
612-cyanophenol0.03[3,2]View
623-nitroaniline0.03[1]View
634-cyanobenzaldehyde0.04[3]View
643-methoxybenzonitrile0.05[3]View
654-hydroxypropiophenone0.05[2]View
662-nitrotoluene0.05[4,1]View
673-nitrotoluene0.05[4,1]View
682,4-dimethylphenol0.07[2]View
692,5-dimethylphenol0.08[2]View
702-hydroxyacetophenone0.08[2]View
712-nitroaniline0.08[1]View
72methyl-4-hydroxybenzoate0.08[2]View
733-hydroxybenzaldehyde0.09[2]View
744-methoxybenzonitrile0.10[3]View
754-nitrobenzyl alcohol0.10[1]View
763,5-dimethylphenol0.11[2]View
773,4-dimethylphenol0.12[2]View
782,3-dimethylphenol0.12[2]View
792,4-diaminophenol0.13[2]View
804-nitrophenylacetonitrile0.13[1]View
813-nitrobenzaldehyde0.14[1]View
82nitrobenzene0.14[4,1]View
832-ethylphenol0.16[2]View
84syringaldehyde0.17[2]View
852-nitrobenzaldehyde0.17[1]View
864-nitrotoluene0.17[4,1]View
87salicylhydrazide0.18[2]View
882-chlorophenol0.18[2]View
894-nitrobenzamide0.18[1]View
902-fluorophenol0.19[2]View
914-nitrobenzaldehyde0.20[1]View
924-ethylphenol0.21[2]View
933-ethylphenol0.23[2]View
94salicylaldoxime0.25[2]View
954-fluoronitrobenzene0.25[1]View
964-amimobenzonitrile0.25[3]View
974-hydroxybenzaldehyde0.27[2]View
983,4-dinitrophenol0.27[2]View
992-chlorobenzonitrile0.28[3]View
1002,3,6-trimethylphenol0.28[2]View
1012,4,6-trimethylphenol0.28[2]View
1024-bromobenzonitrile0.29[3]View
1031,3-dimethyl-2-nitrobenzene0.30[4]View
1043-nitroacetophenone0.32[1]View
1052-bromophenol0.33[2]View
1062-allylphenol0.33[2]View
1075-hydroxy-2nitrobenzaldehyde0.33[2]View
1085-bromo-2-hydroxybenzyl alcohol0.34[2]View
1092,3,5-trimethylphenol0.36[2]View
1102-amino-4-tert-butylphenol0.37[2]View
111ethyl-4-cyanobenzoate0.37[3]View
1123-methoxysalicylaldehyde0.38[2]View
113salicylhydroxamic acid0.38[2]View
1143-fluorophenol0.38[2]View
1154-bromonitrobenzene0.38[4,1]View
1162-chloro-5-methylphenol0.39[2]View
117methyl-4-nitrobenzoate0.40[1]View
118salicylaldehyde0.42[2]View
1194-chloronitrobenzene0.43[4,1]View
1202-amino-5-chlorobenzonitrile0.44[3]View
1215-amino-2-methoxyphenol0.45[2]View
1223-nitrobenzonitrile0.45[3,1]View
1232,3-dinitrophenol0.46[2]View
1242,6-difluorophenol0.47[2]View
1254-isopropylphenol0.47[2]View
126ethyl-3-hydroxybenzoate0.48[2]View
1272-amino-4-nitrophenol0.48[2]View
1283-nitrophenol0.51[2,1]View
1294-cyanophenol0.52[3,2]View
1303,5-dinitrobenzyl alcohol0.53[4]View
1312,6-dinitrophenol0.54[2]View
1324-nitroanisole0.54[1]View
1334-chlorophenol0.55[2]View
1342,3-dimethylnitrobenzene0.56[4]View
1354-nitrobenzonitrile0.57[3,1]View
136ethyl-4-hydroxybenzoate0.57[2]View
1374-methyl-2-nitrophenol0.57[2]View
1382-bromo-4-methylphenol0.60[2]View
1392,4-difluorophenol0.60[2]View
1403-isopropylphenol0.61[2]View
1415-bromovanillin0.62[2]View
142α,α,α-trifluoro-4-cresol0.62[2]View
1432,6-dichloro-4-nitrophenol0.63[2]View
1444-propylphenol0.64[2]View
1454-nitrosophenol0.65[2]View
1462-nitrophenol0.67[2,1]View
1473-nitroanisole0.67[1]View
1484-bromophenol0.68[2]View
1492-chloro-6-nitrotoluene0.68[4]View
1502-chloronitrobenzene0.68[4,1]View
1514-nitrobenzaldoxime0.68[1]View
1522-chloro-4,5-dimethylphenol0.69[2]View
1531-cyanonaphthalene0.69[3]View
1544-chloro-2-methylphenol0.70[2]View
1554-butoxyphenol0.70[2]View
156Ethyl-4-nitrobenzoate0.71[1]View
1572-hydroxy-4,5-dimethylacetophenone0.71[2]View
1583-tert-butylphenol0.73[2]View
1593-chloronitrobenzene0.73[4,1]View
1604-methyl-3-nitrophenol0.74[2]View
1612,6-dichlorophenol0.74[2]View
1622-chloromethyl-4-nitrophenol0.75[2]View
1632-bromonitrobenzene0.75[4,1]View
1643-chloro-5-methoxyphenol0.76[2]View
1652-amino-4-chlorophenol0.78[2]View
1662-isopropylphenol0.80[2]View
1672,6-dichloro-4-fluorophenol0.80[2]View
1684-ethylnitrobenene0.80[1]View
1694-chloro-3-methylphenol0.80[2]View
1704-chloro-2-nitrotoluene0.82[4]View
1714-nitrophenetole0.83[1]View
1724-iodophenol0.85[2]View
1732,4,6-trimethylnitrobenzene0.86[4]View
1743-chlorophenol0.87[2]View
1756-methyl-1,3-dinitrobenzene0.87[4]View
1764-amino-2-nitrophenol0.88[2]View
1771,3-dinitrobenzene0.89[4,1]View
1786-amino-2,4-dimethylphenol0.89[2]View
1794-tert-butylphenol0.91[2]View
1803,4,5-trimethylphenol0.93[2]View
1812-aminophenol0.94[2]View
1822,5-dinitrophenol0.95[2]View
1832-sec-butylphenol0.98[2]View
1842,4-dichloronitrobenzene0.99[4]View
1853-bromonitrobenzene1.03[4,1]View
1862,4-dichlorophenol1.04[2]View
1872,3-dichloronitrobenzene1.07[4]View
1884-chloro-3-ethylphenol1.08[2]View
1892-nitrobenzonitrile1.08[3,1]View
1902,4-dinitrophenol1.08[2]View
1913,4-dinitrobenzyl alcohol1.09[4]View
1923-iodophenol1.12[2]View
1935-fluoro-2-nitrophenol1.13[2]View
1943-chloro-4-fluorophenol1.13[2]View
1952,5-dichlorophenol1.13[2]View
1962,5-dichloronitrobenzene1.13[4]View
1973,5-dichloronitrobenzene1.13[4]View
1983-bromophenol1.14[2]View
1993-methyl-4-bromonitrobenzene1.16[4]View
2003,4-dichloronitrobenzene1.16[4]View
2016-tert-butyl-2,4-dimethylphenol1.16[2]View
2022,3,5,6-tetrafluorophenol1.17[2]View
2032-amino-4-chloro-5-nitrophenol1.17[2]View
2044-bromo-2,6-dimethylphenol1.17[2]View
2054-nitrobenzyl chloride1.18[1]View
2064-chloro-3,5-dimethylphenol1.20[2]View
2072,6-dinitro-4-cresol1.23[2]View
2084-tert-pentylphenol1.23[2]View
2094-biphenylcarbonitrile1.24[3]View
2101,2-dinitrobenzene1.25[4,1]View
2114-bromo-3,5-dimethylphenol1.27[2]View
2124-bromo-6-chloroocresol1.28[2]View
2132,3-dichlorophenol1.28[2]View
2144-cyclopentylphenol1.29[2]View
2152-tert-butyl-4-methylphenol1.30[2]View
2162-tert-butylphenol1.30[2]View
2171,4-dinitrobenzene1.30[4,1]View
2182-nitrobiphenyl1.30[1]View
2194-amino-2-cresol1.31[2]View
2202,6-bromo-4-nitrophenol1.35[2]View
2212,5-dibromonitrobenzene1.37[4]View
2222,4-dibromophenol1.40[2]View
2232,4,6-trichlorophenol1.41[2]View
2244-nitrophenol1.42[2]View
2254-butoxynitrobenzene1.42[1]View
2262,4,6-trichloronitrobenzene1.43[4]View
2272,3,4-trichloronitrobenzene1.51[4]View
2285-methyl-1,2-dinitrobenzene1.52[4]View
2292,4,5-trichloronitrobenzene1.53[4]View
2303,5-dichlorophenol1.57[2]View
2313-nitrobiphenyl1.57[1]View
2322-chloro-4-nitrophenol1.59[2]View
2333,5-dibromosalicylaldehyde1.64[2]View
2343,5-di-tert-butylphenol1.64[2]View
2354-chloro-6-nitromcresol1.64[2]View
236pentafluorophenol1.64[2]View
2374-hexyloxyphenol1.64[2]View
2382,6-diiodo-4-nitrophenol1.71[2]View
2394,6-dinitro-2-cresol1.72[2]View
2403-methyl-4-nitrophenol1.73[2]View
2412,4-chloro-6-nitrophenol1.75[2]View
2423,4-dichlorophenol1.75[2]View
2434-bromo-2,6-dichlorophenol1.78[2]View
2442,3,4,5-tetrachloronitrobenzene1.78[4]View
2452,6-di-tert-butyl-4-methylphenol1.80[2]View
2462,3,5,6-tetrachloronitrobenzene1.82[4]View
2474-chloro-2-isopropyl-5-methylphenol1.85[2]View
2484-nitrodiphenylamine1.89[1]View
2496-chloro-1,3-dinitrobenzene1.98[4]View
2502,4,6-tribromophenol2.03[2]View
2514-heptyloxyphenol2.03[2]View
252pentachlorophenol2.05[2]View
2534-chloro-2-nitrophenol2.05[2]View
2542,4,5-trichlorophenol2.10[2]View
2554-tert-octylphenol2.10[2]View
2566-iodo-1,3-dinitrobenzene2.12[4]View
2572,4,6-trichloro-1,3-dinitrobenzene2.19[4]View
2581,2-dinitro-4,5-dichlorobenzene2.21[4]View
2592,3,5,6-tetrachlorophenol2.22[2]View
2606-bromo-1,3-dinitrobenzene2.31[4]View
2612,3,5-trichlorophenol2.37[2]View
2624,6-dichloro-1,2-dinitrobenzene2.42[4]View
2634-nonylphenol2.47[2]View
2643,4,5,6-tetrabromo-2-cresol2.57[2]View
2652,4,5-trichloro-1,3-dinitrobenzene2.59[4]View
266Pentabromophenol2.66[2]View
2672,3,4,5-tetrachlorophenol2.71[2]View
2682,3,5,6-tetrachloro-1,4-dinitrobenzene2.74[4]View

Bibliography

  1. Dearden, J. C.; Cronin, M. T. D.; Schultz, T. W.; Lin, D. T. QSAR Study of the Toxicity of Nitrobenzenes to Tetrahymena pyriformis. QSAR Comb. Sci. 1995, 14, 427–432. http://dx.doi.org/10.1002/qsar.19950140503

  2. Cronin, M. T. D.; Schultz, T. W. Structure-toxicity relationships for phenols to Tetrahymena pyriformis. Chemosphere 1996, 32, 1453–1468. http://dx.doi.org/10.1016/0045-6535(96)00054-9

  3. Cronin, M. T. D.; Bryant, S. E.; Dearden, J. C.; Schultz, T. W. Quantitative structure-activity study of the toxicity of benzonitriles to the ciliate Tetrahymena pyriformis. SAR QSAR Environ. Res. 1995, 3, 1–13. http://dx.doi.org/10.1080/10629369508233989

  4. Cronin, M. T. D.; Gregory, B. W.; Schultz, T. W. Quantitative Structure-Activity Analyses of Nitrobenzene Toxicity to Tetrahymena pyriformis. Chem. Res. Toxicol. 1998, 11, 902–908. http://dx.doi.org/10.1021/tx970166m

  5. Cronin, M. T. D.; Schultz, T. W. Development of Quantitative Structure-Activity Relationships for the Toxicity of Aromatic Compounds to Tetrahymena pyriformis: Comparative Assessment of the Methodologies. Chem. Res. Toxicol. 2001, 14, 1284–1295. http://dx.doi.org/10.1021/tx0155202

  6. 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