10967/16 - QDB Compounds

QsarDB Repository

Yarbrough, J.W.; Schultz, T.W. Abiotic Sulfhydryl Reactivity: A Predictor of Aquatic Toxicity for Carbonyl-Containing α,β-Unsaturated Compounds. Chem. Res. Toxicol. 2007, 20, 3, 558–562.

Compound

ID:21
Name:methyl trans-2-octenoate
Description:
Labels:
CAS:7367-81-9
InChi Code:

Properties

IGC50: 40-h Tetrahymena toxicity as IGC50 [mmol/L]

ValueSource or prediction
0.17

Schultz, T. W.; Yarbrough, J. W. Trends in structure-toxicity relationships for carbonyl-containing α,β-unsaturated compounds. SAR QSAR Environ. Res. 2004, 15, 139–146. http://dx.doi.org/10.1080/10629360410001665839

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