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: | S78 | |
|---|---|---|
| Name: | 2,4-Pentanediol, 2-methyl- | |
| Description: | ||
| Labels: | Non-polar | |
| CAS: | 107-41-5 | |
| InChi Code: | InChI=1S/C6H14O2/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3 |
Properties
logLC50: 96-h Fathead minnow toxicity as logLC50 [log(mol/L)]
| Value | Source or prediction |
|---|---|
| -1.09 |
experimental value |
| -1.83 |
QSAR1: Non-polar narcosis model (Test set) |
| -2.21 |
QSAR3: Narcosis model (Test set) |