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: | S177 | |
|---|---|---|
| Name: | Phenol, 4-nonyl-, branched | |
| Description: | ||
| Labels: | Polar | |
| CAS: | 84852-15-3 | |
| InChi Code: | InChI=1S/C15H24O/c1-13(2)7-5-3-4-6-8-14-9-11-15(16)12-10-14/h9-13,16H,3-8H2,1-2H3 |
Properties
logLC50: 96-h Fathead minnow toxicity as logLC50 [log(mol/L)]
| Value | Source or prediction |
|---|---|
| -6.24 |
experimental value |
| -6.44 |
QSAR2: Polar narcosis model (Test set) |
| -6.54 |
QSAR3: Narcosis model (Test set) |