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: | 1039 | |
|---|---|---|
| Name: | N-[(R)-methoxy(methylsulfanyl)phosphoryl]ethanimidic acid | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Acephate | |
| Labels: | ||
| CAS: | 30560-19-1 | |
| InChi Code: | InChI=1S/C4H10NO3PS/c1-4(6)5-9(7,8-2)10-3/h1-3H3,(H,5,6,7)/t9-/m1/s1 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 0.39 |
experimental value |
| 0.9678 |
Tab2.Model_2: logKoc (Training set) |