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Toxicity data tools

 

Predicting acute aquatic toxicity

Query the curated aquatic toxicity experimental data and computed orbital energies and physicochemical properties below. You can search by CAS number (no dashes), chemical name, or by structure. Data displayed are from published peer reviewed literature

Data interpretation: Compounds with logD < 1.7 and dE energy > 6.5 eV are highly likely to be safe to aquatic species while compounds with logD>1.7 and dE < 6.5 eV are significantly more likely to be toxic to be aquatic species (Kostal, 2015).