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: | 153 | |
|---|---|---|
| Name: | 2-[(3,5,6-trichloropyridin-2-yl)oxy]acetic acid | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Triclopyr | |
| Labels: | ||
| CAS: | 55335-06-3 | |
| InChi Code: | InChI=1S/C7H4Cl3NO3/c8-3-1-4(9)7(11-6(3)10)14-2-5(12)13/h1H,2H2,(H,12,13) |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 1.55 |
experimental value |
| 2.3212 |
Tab2.Model_2: logKoc (Training set) |
M23.pLC50: 96-h Rainbow trout toxicity as log(1/LC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 3.34 |
experimental value |
| 3.523 |
Tab2.Model_23: (B)TAZ O. mykiss LC50 (Training set) |