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: | 859 | |
|---|---|---|
| Name: | 2,3,5-trimethylphenol | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 2,3,5-Trimethylphenol | |
| Labels: | ||
| CAS: | 697-82-5 | |
| InChi Code: | InChI=1S/C9H12O/c1-6-4-7(2)8(3)9(10)5-6/h4-5,10H,1-3H3 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 3.61 |
experimental value |
| 2.4315 |
Tab2.Model_2: logKoc (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID3047184 | US EPA CompTox Dashboard |