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: | 956 | |
|---|---|---|
| Name: | 2,3,5,6-tetrachloroaniline | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 2,3,5,6-Tetrachloroaniline | |
| Labels: | ||
| CAS: | 3481-20-7 | |
| InChi Code: | InChI=1S/C6H3Cl4N/c7-2-1-3(8)5(10)6(11)4(2)9/h1H,11H2 |
Properties
M1.pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 5.93 |
experimental value |
| 4.988 |
Tab2.Model_1: P. promelas LC50 (Training set) |
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 3.94 |
experimental value |
| 2.8448 |
Tab2.Model_2: logKoc (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID2022208 | US EPA CompTox Dashboard |