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: | P53 | |
|---|---|---|
| Name: | 4-bromoaniline | |
| Description: | ||
| Labels: | Polar | |
| CAS: | 106-40-1 | |
| InChi Code: | InChI=1S/C6H6BrN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2 |
Properties
logLC50: 96-h Fathead minnow toxicity as logLC50 [log(mol/L)]
| Value | Source or prediction |
|---|---|
| -3.56 |
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. |
| -3.8 |
QSAR2: Polar narcosis model (Training set) |
| -3.57 |
QSAR3: Narcosis model (Training set) |