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: | 744 | |
|---|---|---|
| Name: | 3,5-dimethylphenol | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 3,5-Dimethylphenol | |
| Labels: | ||
| CAS: | 108-68-9 | |
| InChi Code: | InChI=1S/C8H10O/c1-6-3-7(2)5-8(9)4-6/h3-5,9H,1-2H3 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 2.83 |
experimental value |
| 2.2452 |
Tab2.Model_2: logKoc (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID1025148 | US EPA CompTox Dashboard |