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: | 725 | |
|---|---|---|
| Name: | 1,3,5-triethylbenzene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 1,3,5-Triethylbenzene | |
| Labels: | ||
| CAS: | 102-25-0 | |
| InChi Code: | InChI=1S/C12H18/c1-4-10-7-11(5-2)9-12(6-3)8-10/h7-9H,4-6H2,1-3H3 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 4.12 |
experimental value |
| 3.4355 |
Tab2.Model_2: logKoc (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID9027867 | US EPA CompTox Dashboard |