10967/177 - QDB Compounds

QsarDB Repository

Gramatica, P.; Cassani, S.; Chirico, N. QSARINS-chem: Insubria datasets and new QSAR/QSPR models for environmental pollutants in QSARINS. J. Comput. Chem. 2014, 35, 1036–1044.

Compound

ID:69
Name:2-[(4-amino-3,5-dichloro-6-fluoropyridin-2-yl)oxy]acetic acid
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: Fluroxypyr
Labels:
CAS:69377-81-7
InChi Code:InChI=1S/C7H5Cl2FN2O3/c8-3-5(11)4(9)7(12-6(3)10)15-1-2(13)14/h1H2,(H2,11,12)(H,13,14)

Properties

M22.pEC50: Daphnia toxicity as log(1/EC50) [-log(mol/L)]

ValueSource or prediction
3.41

experimental value

3.7592

Tab2.Model_22: (B)TAZ D.magna EC50 (Training set)