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: | 968 | |
|---|---|---|
| Name: | 2-methyl-4,4-dioxo-N-phenyl-5,6-dihydro-1,4λ⁶-oxathiine-3-carboximidic acid | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Oxycarboxin | |
| Labels: | ||
| CAS: | 5259-88-1 | |
| InChi Code: | InChI=1S/C12H13NO4S/c1-9-11(18(15,16)8-7-17-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14) |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 1.7 |
experimental value |
| 1.8399 |
Tab2.Model_2: logKoc (Training set) |