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: | 1104 | |
|---|---|---|
| Name: | ethyl N-[2-[4-(phenoxy)phenoxy]ethyl]carbamate | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Fenoxycarb | |
| Labels: | ||
| CAS: | 79127-80-3 | |
| InChi Code: | InChI=1S/C17H19NO4/c1-2-20-17(19)18-12-13-21-14-8-10-16(11-9-14)22-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3,(H,18,19) |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 3 |
experimental value |
| 3.5572 |
Tab2.Model_2: logKoc (Training set) |