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: | 847 | |
|---|---|---|
| Name: | 1-ethyl-4-methylbenzene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 4-Ethyltoluene | |
| Labels: | ||
| CAS: | 622-96-8 | |
| InChi Code: | InChI=1S/C9H12/c1-3-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 3.62 |
experimental value |
| 2.8552 |
Tab2.Model_2: logKoc (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID9029194 | US EPA CompTox Dashboard |