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: | P54 | |
|---|---|---|
| Name: | pentafluoroaniline | |
| Description: | ||
| Labels: | Polar | |
| CAS: | 771-60-8 | |
| InChi Code: | InChI=1S/C6H2F5N/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H2 |
Properties
logLC50: 96-h Fathead minnow toxicity as logLC50 [log(mol/L)]
| Value | Source or prediction |
|---|---|
| -3.69 |
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. |
| -3.5 |
QSAR2: Polar narcosis model (Training set) |
| -3.25 |
QSAR3: Narcosis model (Training set) |