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: | 592 | |
|---|---|---|
| Name: | 1-ethylnaphthalene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 1-Ethylnaphthalene | |
| Labels: | ||
| CAS: | 1127-76-0 | |
| InChi Code: | InChI=1S/C12H12/c1-2-10-7-5-8-11-6-3-4-9-12(10)11/h3-9H,2H2,1H3 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 3.78 |
experimental value |
| 3.5487 |
Tab2.Model_2: logKoc (Training set) |
M3.GHLI: Global half-life index i
| Value | Source or prediction |
|---|---|
| -0.1179 |
experimental value |
| 0.6021 |
Tab2.Model_3: Global half-life index (Training set) |