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: | S3 | |
|---|---|---|
| Name: | 1,2-Propanediol | |
| Description: | ||
| Labels: | Non-polar | |
| CAS: | 57-55-6 | |
| InChi Code: | InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3 |
Properties
logLC50: 96-h Fathead minnow toxicity as logLC50 [log(mol/L)]
| Value | Source or prediction |
|---|---|
| -0.84 |
experimental value |
| -0.66 |
QSAR1: Non-polar narcosis model (Test set) |
| -1.11 |
QSAR3: Narcosis model (Test set) |