10967/219 - QDB Compounds

QsarDB Repository

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:P59
Name:4-ethoxy-2-nitroaniline
Description:
Labels:Polar
CAS:616-86-4
InChi Code:InChI=1S/C8H10N2O3/c1-2-13-6-3-4-7(9)8(5-6)10(11)12/h3-5H,2,9H2,1H3

Properties

logLC50: 96-h Fathead minnow toxicity as logLC50 [log(mol/L)]

ValueSource or prediction
-3.85

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.

-3.88

QSAR2: Polar narcosis model (Training set)

-3.67

QSAR3: Narcosis model (Training set)