10967/43 - QDB Compounds

QsarDB Repository

Dimitrov, S.; Koleva, Y.; Schultz, T.W.; Walker, J.D.; Mekenyan, O. Interspecies Quantitative Structure-Activity Relationship Model for Aldehydes: Aquatic Toxicity. Environ. Toxicol. Chem. 2004, 23, 2, 463–470.

36 compounds | Property pIGC50: 2-day Tetrahymena toxicity as log(1/IGC50) [log(L/mol)]

IDNamepIGC50Details
31-Naphthaldehyde3.42View
123,5-Dibromosalicyladehyde4.65View
133,5-Dichlorosalicylaldehyde4.55View
142,4-Dihydroxybenzaldehyde3.62View
172-Furancarboxaldehyde2.82View
254-Cyanobenzaldehyde3.04View
42Phenylacetaldehyde3.87View
52Syringaldehyde3.17View
533,4-Dihydroxybenzaldehyde3.49View
602,4,6-Trihydroxybenzaldehyde3.13View
623-Pyridine carboxyaldehyde2.87View
654-Nitrobenzaldehyde3.20View
715-Chloro-2-hydroxy-benzaldehyde4.01View
72Pentafluorobenzaldehyde3.82View
733-Hydroxy-4-nitrobenzaldehyde3.27View
744,6-Dimethoxy-2-hydroxy-benzaldehyde3.62View
762-Ethylacrolein (2-methylenebutyraldehyde)3.91View
772-Butylacrolein (2-methylenehexanal)4.07View
782-Pyridinecarboxaldehyde2.86View
792,5-Dihydroxybenzaldehyde3.70View
825-Bromo-2-hydroxy-benzaldehyde4.11View
832-Octynal4.89View
852,3,4-Trihydroxybenzaldehyde3.30View
87Phenylpropargyl aldehyde5.02View
883,5-Diiododalicyaldehyde5.35View
893-Methoxy-4-hydroxy-5-bromo-benzaldehyde3.62View
903,3-Dimethylbutyraldehyde2.63View
914-Hydroxy-3-nitrobenzaldehyde3.61View
984-Dimethylamino-cinnamaldehyde3.52View
1002-Chloro-5-nitrobenzaldehyde3.56View
1024-Ethoxy-benzaldehyde3.07View
1043,4,5-Trihydroxybenzaldehyde3.13View
105trans-Cinnamaldehyde3.68View
1103-Cyanobenzaldehyde2.98View
1135-Hydroxy-2-nitrobenzaldehyde3.38View
1164-Methyl-5-imidazolecarboxaldehyde2.07View

Bibliography

  1. Dimitrov, S.; Koleva, Y.; Schultz, T. W.; Walker, J. D.; Mekenyan, O. Interspecies Quantitative Structure-Activity Relationship Model for Aldehydes: Aquatic Toxicity. Environ. Toxicol. Chem. 2004, 23, 463–470. https://doi.org/10.1897/02-579

  2. Schultz, T. W. TETRATOX: Tetrahymena pyriformis population growth impairment endpoint - a surrogate for fish lethality. Toxicol. Mech. Meth. 1997, 7, 289–309. https://doi.org/10.1080/105172397243079