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: | 591 | |
|---|---|---|
| Name: | N,N-dipropyl(ethylsulfanyl)formamide | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: EPTC | |
| Labels: | ||
| CAS: | 759-94-4 | |
| InChi Code: | InChI=1S/C9H19NOS/c1-4-7-10(8-5-2)9(11)12-6-3/h4-8H2,1-3H3 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 2.38 |
experimental value |
| 1.9305 |
Tab2.Model_2: logKoc (Training set) |
M3.GHLI: Global half-life index i
| Value | Source or prediction |
|---|---|
| -1.16188 |
experimental value |
| -1.4617 |
Tab2.Model_3: Global half-life index (Training set) |