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

IDNamepEC50Details
101H-1,2,4-Triazole3.93View
1388-methyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole4.36View
1421-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one5.16View
1591-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol4.49View
1841-[2-(2,4-dichlorophenyl)pentyl]-1,2,4-triazole5.15View
198(2S,3S)-1-(4-Chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)-3-pentanol4.61View
242bis(4-fluorophenyl)-methyl-(1,2,4-triazol-1-ylmethyl)silane4.69View
305Epoxiconazole5.44View
3104-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile6.01View
3111-[[4-bromo-2-(2,4-dichlorophenyl)oxolan-2-yl]methyl]-1,2,4-triazole5.06View
324(5Z)-5-[(4-chlorophenyl)methylidene]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol5.5View
359Prothioconazole5.5View
364Pyroxsulam6.51View
3683-({[2-(2,2-difluoroethoxy)-6-(trifluoromethyl)-phenyl]sulfonyl}amino)-1H-1,2,4-triazole-5-carboxylic acid i4.62View
3712-(1-chlorocyclopropyl)-1-(2-chlorophenyl)-3-[5-(methylthio)-1H-1,2,4-triazol-1-yl]propan-2-ol i4.98View
3761-[2-[2-chloro-4-(4-chlorophenoxy)-phenyl]-2–1H-[1,2,4]triazol-yl]-ethanol i5.48View
377N-(2,6-difluorophenyl)-8-fluoro-5-hydroxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide i4.13View
387Sulfadiazine4.51View
388Melamine3.1View
389Picloram3.6View
3902-Amino-4,6-dimethylpyrimidine i3.09View
391Pirimicarb3.23View
3922-amino-4,6-dimethoxypyrimidine3.11View
393Bupirimate5.3View
394Flurprimidol5.57View
395Chlorsulfuron6.72View
396Terbutylazine-2-hydroxy4.75View
397Forchlorfenuron4.88View
398Cyprodinil4.94View
399Azoxystrobin6.05View
400Aminopyralid3.84View
401Flonicamid3.36View
4024-(Trifluoromethyl)nicotinic acid3.28View
403Fluoxastrobin6.12View
404Chlorantraniliprole i5.38View

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