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: | S31 | |
|---|---|---|
| Name: | Phenol, 4,4'-(1methylethylidene)bis- | |
| Description: | ||
| Labels: | Polar | |
| CAS: | 80-05-7 | |
| InChi Code: | InChI=1S/C15H16O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,16-17H,1-2H3 |
Properties
logLC50: 96-h Fathead minnow toxicity as logLC50 [log(mol/L)]
| Value | Source or prediction |
|---|---|
| -4.7 |
experimental value |
| -4.79 |
QSAR2: Polar narcosis model (Test set) |
| -4.69 |
QSAR3: Narcosis model (Test set) |