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: | 876 | |
|---|---|---|
| Name: | 2-ethylnaphthalene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 2-Ethylnaphthalene | |
| Labels: | ||
| CAS: | 939-27-5 | |
| InChi Code: | InChI=1S/C12H12/c1-2-10-7-8-11-5-3-4-6-12(11)9-10/h3-9H,2H2,1H3 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 3.76 |
experimental value |
| 3.5371 |
Tab2.Model_2: logKoc (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID9061330 | US EPA CompTox Dashboard |