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: | 934 | |
|---|---|---|
| Name: | O,O-diethyl {[(6-chloro-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)methyl]sulfanyl}phosphonothioate | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Phosalone | |
| Labels: | ||
| CAS: | 2310-17-0 | |
| InChi Code: | InChI=1S/C12H15ClNO4PS2/c1-3-16-19(20,17-4-2)21-8-14-10-6-5-9(13)7-11(10)18-12(14)15/h5-7H,3-4,8H2,1-2H3 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 2.98 |
experimental value |
| 3.3075 |
Tab2.Model_2: logKoc (Training set) |