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: | 1000 | |
|---|---|---|
| Name: | (2R)-N,N-diethyl-2-(naphthalen-1-yloxy)propanamide | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Napropamide | |
| Labels: | ||
| CAS: | 15299-99-7 | |
| InChi Code: | InChI=1S/C17H21NO2/c1-4-18(5-2)17(19)13(3)20-16-12-8-10-14-9-6-7-11-15(14)16/h6-13H,4-5H2,1-3H3/t13-/m1/s1 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 2.66 |
experimental value |
| 3.4565 |
Tab2.Model_2: logKoc (Training set) |