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: | 87 | |
|---|---|---|
| Name: | 6-methyl-4-[(E)-[(pyridin-3-yl)methylidene]amino]-4,5-dihydro-1,2,4-triazin-3-ol | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Pymetrozine | |
| Labels: | ||
| CAS: | 123312-89-0 | |
| InChi Code: | InChI=1S/C10H11N5O/c1-8-7-15(10(16)14-13-8)12-6-9-3-2-4-11-5-9/h2-6H,7H2,1H3,(H,14,16)/b12-6+ |
Properties
M22.pEC50: Daphnia toxicity as log(1/EC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 3.4 |
experimental value |
| 3.697 |
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 |
|---|---|
| 3.34 |
experimental value |
| 3.2271 |
Tab2.Model_23: (B)TAZ O. mykiss LC50 (Training set) |