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: | 852 | |
|---|---|---|
| Name: | 2,3,4,5-tetrachloroaniline | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 2,3,4,5-Tetrachloroaniline | |
| Labels: | ||
| CAS: | 634-83-3 | |
| InChi Code: | InChI=1S/C6H3Cl4N/c7-2-1-3(11)5(9)6(10)4(2)8/h1H,11H2 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 3.04 |
experimental value |
| 2.8663 |
Tab2.Model_2: logKoc (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID70212810 | US EPA CompTox Dashboard |