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: | S26 | |
|---|---|---|
| Name: | Acetic acid, methyl ester | |
| Description: | ||
| Labels: | Non-polar | |
| CAS: | 79-20-9 | |
| InChi Code: | InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3 |
Properties
logLC50: 96-h Fathead minnow toxicity as logLC50 [log(mol/L)]
| Value | Source or prediction |
|---|---|
| -2.36 |
experimental value |
| -1.65 |
QSAR1: Non-polar narcosis model (Test set) |
| -2.04 |
QSAR3: Narcosis model (Test set) |