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: | 1029 | |
|---|---|---|
| Name: | (2R)-2-ethoxy-3,3-dimethyl-2,3-dihydro-1-benzofuran-5-yl methanesulfonate | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Ethofumesate | |
| Labels: | ||
| CAS: | 26225-79-6 | |
| InChi Code: | InChI=1S/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3/t12-/m1/s1 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 2.05 |
experimental value |
| 2.8586 |
Tab2.Model_2: logKoc (Training set) |