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: | 601 | |
|---|---|---|
| Name: | N,N-bis(propan-2-yl){[(2Z)-2,3-dichloroprop-2-en-1-yl]sulfanyl}formamide | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Diallate | |
| Labels: | ||
| CAS: | 2303-16-4 | |
| InChi Code: | InChI=1S/C10H17Cl2NOS/c1-7(2)13(8(3)4)10(14)15-6-9(12)5-11/h5,7-8H,6H2,1-4H3/b9-5- |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 3.28 |
experimental value |
| 2.5263 |
Tab2.Model_2: logKoc (Training set) |
M3.GHLI: Global half-life index i
| Value | Source or prediction |
|---|---|
| 0.54901 |
experimental value |
| 0.1379 |
Tab2.Model_3: Global half-life index (Training set) |