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: | 888 | |
|---|---|---|
| Name: | tetrachlorobenzene-1,2-diol | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Tetrachlorocatechol | |
| Labels: | ||
| CAS: | 1198-55-6 | |
| InChi Code: | InChI=1S/C6H2Cl4O2/c7-1-2(8)4(10)6(12)5(11)3(1)9/h11-12H |
Properties
M1.pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 5.29 |
experimental value |
| 5.7457 |
Tab2.Model_1: P. promelas LC50 (Training set) |
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 1.56 |
experimental value |
| 2.8556 |
Tab2.Model_2: logKoc (Training set) |