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10967/182 - QDB Compounds

QsarDB Repository

Gramatica, P.; Cassani, S.; Roy, P. P.; Kovarich, S.; Yap, C. W.; Papa, E. QSAR Modeling is not “Push a Button and Find a Correlation”: A Case Study of Toxicity of (Benzo-)triazoles on Algae. Molecular Informatics 2012, 31, 817–835.

35 compounds | Property pEC50: 72-h Algal toxicity as log(1/EC50) [-log(mol/L)] i

ID Name pEC50 Details
10 1H-1,2,4-Triazole 3.93 View
138 8-methyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole 4.36 View
142 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one 5.16 View
159 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol 4.49 View
184 1-[2-(2,4-dichlorophenyl)pentyl]-1,2,4-triazole 5.15 View
198 (2S,3S)-1-(4-Chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)-3-pentanol 4.61 View
242 bis(4-fluorophenyl)-methyl-(1,2,4-triazol-1-ylmethyl)silane 4.69 View
305 Epoxiconazole 5.44 View
310 4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile 6.01 View
311 1-[[4-bromo-2-(2,4-dichlorophenyl)oxolan-2-yl]methyl]-1,2,4-triazole 5.06 View
324 (5Z)-5-[(4-chlorophenyl)methylidene]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol 5.5 View
359 Prothioconazole 5.5 View
364 Pyroxsulam 6.51 View
368 3-({[2-(2,2-difluoroethoxy)-6-(trifluoromethyl)-phenyl]sulfonyl}amino)-1H-1,2,4-triazole-5-carboxylic acid i 4.62 View
371 2-(1-chlorocyclopropyl)-1-(2-chlorophenyl)-3-[5-(methylthio)-1H-1,2,4-triazol-1-yl]propan-2-ol i 4.98 View
376 1-[2-[2-chloro-4-(4-chlorophenoxy)-phenyl]-2–1H-[1,2,4]triazol-yl]-ethanol i 5.48 View
377 N-(2,6-difluorophenyl)-8-fluoro-5-hydroxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide i 4.13 View
387 Sulfadiazine 4.51 View
388 Melamine 3.1 View
389 Picloram 3.6 View
390 2-Amino-4,6-dimethylpyrimidine i 3.09 View
391 Pirimicarb 3.23 View
392 2-amino-4,6-dimethoxypyrimidine 3.11 View
393 Bupirimate 5.3 View
394 Flurprimidol 5.57 View
395 Chlorsulfuron 6.72 View
396 Terbutylazine-2-hydroxy 4.75 View
397 Forchlorfenuron 4.88 View
398 Cyprodinil 4.94 View
399 Azoxystrobin 6.05 View
400 Aminopyralid 3.84 View
401 Flonicamid 3.36 View
402 4-(Trifluoromethyl)nicotinic acid 3.28 View
403 Fluoxastrobin 6.12 View
404 Chlorantraniliprole i 5.38 View

Bibliography

  1. Gramatica, P.; Cassani, S.; Roy, P. P.; Kovarich, S.; Yap, C. W.; Papa, E. QSAR Modeling is not “Push a Button and Find a Correlation”: A Case Study of Toxicity of (Benzo-)triazoles on Algae. Molecular Informatics 2012, 31, 817–835. http://dx.doi.org/10.1002/minf.201200075

  2. OECD Test No. 201: Freshwater Alga and Cyanobacteria, Growth Inhibition Test. http://dx.doi.org/10.1787/9789264069923-en