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)]
| Value | Source 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)]
| Value | Source or prediction |
|---|---|
| 3.35 |
experimental value |
| 4.3708 |
Tab2.Model_23: (B)TAZ O. mykiss LC50 (Training set) |