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: | 588 | |
|---|---|---|
| Name: | 1,2,3,4-tetrachlorobenzene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 1,2,3,4-Tetrachlorobenzene | |
| Labels: | ||
| CAS: | 634-66-2 | |
| InChi Code: | InChI=1S/C6H2Cl4/c7-3-1-2-4(8)6(10)5(3)9/h1-2H |
Properties
M1.pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 5.29 |
experimental value |
| 5.1245 |
Tab2.Model_1: P. promelas LC50 (Training set) |
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 3.76 |
experimental value |
| 3.2559 |
Tab2.Model_2: logKoc (Training set) |
M3.GHLI: Global half-life index i
| Value | Source or prediction |
|---|---|
| 2.54378 |
experimental value |
| 2.304 |
Tab2.Model_3: Global half-life index (Training set) |
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| 0.690825461 |
experimental value |
| 1.1681 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID6026088 | US EPA CompTox Dashboard |