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: | 462 | |
|---|---|---|
| Name: | 2,4,5-trichlorophenol | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 2,4,5-Trichlorophenol | |
| Labels: | ||
| CAS: | 95-95-4 | |
| InChi Code: | InChI=1S/C6H3Cl3O/c7-3-1-5(9)6(10)2-4(3)8/h1-2,10H |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 2.96 |
experimental value |
| 2.5305 |
Tab2.Model_2: logKoc (Training set) |
M3.GHLI: Global half-life index i
| Value | Source or prediction |
|---|---|
| -0.36015 |
experimental value |
| 0.1629 |
Tab2.Model_3: Global half-life index (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID4024359 | US EPA CompTox Dashboard |