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: | 630 | |
|---|---|---|
| Name: | dimethyl [(1R)-2,2,2-trichloro-1-hydroxyethyl]phosphonate | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Trichlorfon | |
| Labels: | ||
| CAS: | 52-68-6 | |
| InChi Code: | InChI=1S/C4H8Cl3O4P/c1-10-12(9,11-2)3(8)4(5,6)7/h3,8H,1-2H3/t3-/m1/s1 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 1.6 |
experimental value |
| 1.3392 |
Tab2.Model_2: logKoc (Training set) |