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: | 166 | |
|---|---|---|
| Name: | (E)-[(2-{[6-(2-chlorophenoxy)-5-fluoropyrimidin-4-yl]oxy}phenyl)(5,6-dihydro-1,4,2-dioxazin-3-yl)methylidene](methoxy)amine | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Fluoxastrobin | |
| Labels: | ||
| CAS: | 361377-29-9 | |
| InChi Code: | InChI=1S/C21H16ClFN4O5/c1-28-26-18(21-27-30-11-10-29-21)13-6-2-4-8-15(13)31-19-17(23)20(25-12-24-19)32-16-9-5-3-7-14(16)22/h2-9,12H,10-11H2,1H3/b26-18+ |
Properties
M21.pEC50: 72-h Algal toxicity as log(1/EC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 6.12 |
experimental value |
| 6.2539 |
Tab2.Model_21: (B)TAZ P. subcapitata EC50 (Training set) |
M23.pLC50: 96-h Rainbow trout toxicity as log(1/LC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 6.02 |
experimental value |
| 6.0243 |
Tab2.Model_23: (B)TAZ O. mykiss LC50 (Training set) |