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: | 926 | |
|---|---|---|
| Name: | ethyl 2-(naphthalen-1-yl)acetate | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Ethyl 1-naphthaleneacetate | |
| Labels: | ||
| CAS: | 2122-70-5 | |
| InChi Code: | InChI=1S/C14H14O2/c1-2-16-14(15)10-12-8-5-7-11-6-3-4-9-13(11)12/h3-9H,2,10H2,1H3 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 2.48 |
experimental value |
| 2.8219 |
Tab2.Model_2: logKoc (Training set) |