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: | 743 | |
|---|---|---|
| Name: | benzene-1,3-diol | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 3-Hydroxyphenol | |
| Labels: | ||
| CAS: | 108-46-3 | |
| InChi Code: | InChI=1S/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 1.01 |
experimental value |
| 1.9253 |
Tab2.Model_2: logKoc (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID2021238 | US EPA CompTox Dashboard |