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: | 884 | |
|---|---|---|
| Name: | N-butyl-N-ethyl(propylsulfanyl)formamide | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Pebulate | |
| Labels: | ||
| CAS: | 1114-71-2 | |
| InChi Code: | InChI=1S/C10H21NOS/c1-4-7-8-11(6-3)10(12)13-9-5-2/h4-9H2,1-3H3 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 2.8 |
experimental value |
| 2.0926 |
Tab2.Model_2: logKoc (Training set) |