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: | 815 | |
|---|---|---|
| Name: | 2,3,4,5,6-pentachloroaniline | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Pentachloroaniline | |
| Labels: | ||
| CAS: | 527-20-8 | |
| InChi Code: | InChI=1S/C6H2Cl5N/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H2 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 4.62 |
experimental value |
| 3.103 |
Tab2.Model_2: logKoc (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID4037584 | US EPA CompTox Dashboard |