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: | 603 | |
|---|---|---|
| Name: | 2,3,4,5-tetrachloro-6-methoxyphenol | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Tetrachloroguaiacol | |
| Labels: | ||
| CAS: | 2539-17-5 | |
| InChi Code: | InChI=1S/C7H4Cl4O2/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h12H,1H3 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 2.85 |
experimental value |
| 3.0465 |
Tab2.Model_2: logKoc (Training set) |
M3.GHLI: Global half-life index i
| Value | Source or prediction |
|---|---|
| 0.36039 |
experimental value |
| 0.6051 |
Tab2.Model_3: Global half-life index (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID0044155 | US EPA CompTox Dashboard |