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: | 919 | |
|---|---|---|
| Name: | N,N-bis(2-methylpropyl)(ethylsulfanyl)formamide | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Butylate | |
| Labels: | ||
| CAS: | 2008-41-5 | |
| InChi Code: | InChI=1S/C11H23NOS/c1-6-14-11(13)12(7-9(2)3)8-10(4)5/h9-10H,6-8H2,1-5H3 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 2.9 |
experimental value |
| 2.3284 |
Tab2.Model_2: logKoc (Training set) |