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: | P22 | |
|---|---|---|
| Name: | 4-phenoxyphenol | |
| Description: | ||
| Labels: | Polar | |
| CAS: | 831-82-3 | |
| InChi Code: | InChI=1S/C12H10O2/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9,13H |
Properties
logLC50: 96-h Fathead minnow toxicity as logLC50 [log(mol/L)]
| Value | Source or prediction |
|---|---|
| -4.58 |
Verhaar, H. J. M.; Mulder, W.; Hermens, J. L. M. QSARs for ecotoxicity. In Overview of structure-activity relationships for environmental endpoints, Part I: general outline and procedure; Hermens, J. L. M., Ed.; 1995. |
| -4.88 |
QSAR2: Polar narcosis model (Training set) |
| -4.78 |
QSAR3: Narcosis model (Training set) |