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: | 602 | |
|---|---|---|
| Name: | N,N-bis(propan-2-yl)[(2,3,3-trichloroprop-2-en-1-yl)sulfanyl]formamide | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Triallate | |
| Labels: | ||
| CAS: | 2303-17-5 | |
| InChi Code: | InChI=1S/C10H16Cl3NOS/c1-6(2)14(7(3)4)10(15)16-5-8(11)9(12)13/h6-7H,5H2,1-4H3 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 3.35 |
experimental value |
| 2.7775 |
Tab2.Model_2: logKoc (Training set) |
M3.GHLI: Global half-life index i
| Value | Source or prediction |
|---|---|
| -0.36976 |
experimental value |
| 0.5457 |
Tab2.Model_3: Global half-life index (Training set) |