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: | 157 | |
|---|---|---|
| Name: | 2-ethoxyethyl (2S)-2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Haloxyfop-etotyl | |
| Labels: | ||
| CAS: | 87237-48-7 | |
| InChi Code: | InChI=1S/C19H19ClF3NO5/c1-3-26-8-9-27-18(25)12(2)28-14-4-6-15(7-5-14)29-17-16(20)10-13(11-24-17)19(21,22)23/h4-7,10-12H,3,8-9H2,1-2H3/t12-/m0/s1 |
Properties
M23.pLC50: 96-h Rainbow trout toxicity as log(1/LC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 5.57 |
experimental value |
| 5.6459 |
Tab2.Model_23: (B)TAZ O. mykiss LC50 (Training set) |