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: | 416 | |
|---|---|---|
| Name: | 1-methoxy-4-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]benzene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Methoxychlor | |
| Labels: | ||
| CAS: | 72-43-5 | |
| InChi Code: | InChI=1S/C16H15Cl3O2/c1-20-13-7-3-11(4-8-13)15(16(17,18)19)12-5-9-14(21-2)10-6-12/h3-10,15H,1-2H3 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 4.9 |
experimental value |
| 5.0605 |
Tab2.Model_2: logKoc (Training set) |
M3.GHLI: Global half-life index i
| Value | Source or prediction |
|---|---|
| -0.1179 |
experimental value |
| 2.2804 |
Tab2.Model_3: Global half-life index (Training set) |