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: | 863 | |
|---|---|---|
| Name: | O,O-bis(propan-2-yl) [(2-benzenesulfonamidoethyl)sulfanyl]phosphonothioate | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Bensulide | |
| Labels: | ||
| CAS: | 741-58-2 | |
| InChi Code: | InChI=1S/C14H24NO4PS3/c1-12(2)18-20(21,19-13(3)4)22-11-10-15-23(16,17)14-8-6-5-7-9-14/h5-9,12-13,15H,10-11H2,1-4H3 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 3.5 |
experimental value |
| 3.4508 |
Tab2.Model_2: logKoc (Training set) |