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: | 636 | |
|---|---|---|
| Name: | 2,3,4,6-tetrachlorophenol | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 2,3,4,6-Tetrachlorophenol | |
| Labels: | ||
| CAS: | 58-90-2 | |
| InChi Code: | InChI=1S/C6H2Cl4O/c7-2-1-3(8)6(11)5(10)4(2)9/h1,11H |
Properties
M1.pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 5.35 |
experimental value |
| 5.4313 |
Tab2.Model_1: P. promelas LC50 (Training set) |
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 3.35 |
experimental value |
| 2.744 |
Tab2.Model_2: logKoc (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID9021716 | US EPA CompTox Dashboard |