Pavan, M.; Worth, A.; Netzeva, T. Preliminary analysis of an aquatic toxicity dataset and assessment of QSAR models for narcosis. EUR 21749 EN. European Commission, Joint Research Centre, 2005.
Compound
| ID: | N45 | |
|---|---|---|
| Name: | Diisopropyl ether | |
| Description: | ||
| Labels: | Non-polar | |
| CAS: | 108-20-3 | |
| InChi Code: | InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3 |
Properties
logLC50: 96-h Fathead minnow toxicity as logLC50 [log(mol/L)]
| Value | Source or prediction |
|---|---|
| -3.04 |
Veith, G. D.; Call, D. J.; Brooke, L. T. Structure–Toxicity Relationships for the Fathead Minnow, Pimephales promelas: Narcotic Industrial Chemicals. Canadian Journal of Fisheries and Aquatic Sciences 1983, 40, 743–748. https://doi.org/10.1139/f83-096 |
| -2.63 |
QSAR1: Non-polar narcosis model (Training set) |
| -2.97 |
QSAR3: Narcosis model (Training set) |