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: | 151 | |
|---|---|---|
| Name: | O-2-(diethylamino)-6-methylpyrimidin-4-yl O,O-dimethyl phosphorothioate | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Pirimiphos-methyl | |
| Labels: | ||
| CAS: | 29232-93-7 | |
| InChi Code: | InChI=1S/C11H20N3O3PS/c1-6-14(7-2)11-12-9(3)8-10(13-11)17-18(19,15-4)16-5/h8H,6-7H2,1-5H3 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 3 |
experimental value |
| 3.242 |
Tab2.Model_2: logKoc (Training set) |
M23.pLC50: 96-h Rainbow trout toxicity as log(1/LC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 5.88 |
experimental value |
| 5.3411 |
Tab2.Model_23: (B)TAZ O. mykiss LC50 (Training set) |