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:88
Name:(E)-N-[(6-chloropyridin-3-yl)methyl]-N'-cyano-N-methylethanimidamide
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: Acetamiprid
Labels:
CAS:135410-20-7
InChi Code:InChI=1S/C10H11ClN4/c1-8(14-7-12)15(2)6-9-3-4-10(11)13-5-9/h3-5H,6H2,1-2H3/b14-8+

Properties

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

ValueSource or prediction
3.65

experimental value

3.8974

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

M23.pLC50: 96-h Rainbow trout toxicity as log(1/LC50) [-log(mol/L)]

ValueSource or prediction
3.35

experimental value

4.3708

Tab2.Model_23: (B)TAZ O. mykiss LC50 (Training set)