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: | 1402 | |
|---|---|---|
| Name: | (2R)-2-ethylhexyl 4-amino-3,5,6-trichloropyridine-2-carboxylate | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Picloram ethylhexyl ester | |
| Labels: | ||
| CAS: | 26952-20-5 | |
| InChi Code: | InChI=1S/C14H19Cl3N2O2/c1-3-5-6-8(4-2)7-21-14(20)12-9(15)11(18)10(16)13(17)19-12/h8H,3-7H2,1-2H3,(H2,18,19)/t8-/m1/s1 |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| 0.450825461 |
experimental value |
| -0.2706 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |