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: | S81 | |
|---|---|---|
| Name: | 2-Propanol, 1-methoxy- | |
| Description: | ||
| Labels: | Non-polar | |
| CAS: | 107-98-2 | |
| InChi Code: | InChI=1S/C4H10O2/c1-4(5)3-6-2/h4-5H,3H2,1-2H3 |
Properties
logLC50: 96-h Fathead minnow toxicity as logLC50 [log(mol/L)]
| Value | Source or prediction |
|---|---|
| -0.64 |
experimental value |
| -0.91 |
QSAR1: Non-polar narcosis model (Test set) |
| -1.35 |
QSAR3: Narcosis model (Test set) |