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: | 707 | |
|---|---|---|
| Name: | 2,6-dichloro-4-nitroaniline | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Dichloran The representation of nitro groups was fixed | |
| Labels: | ||
| CAS: | 99-30-9 | |
| InChi Code: | InChI=1S/C6H4Cl2N2O2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H,9H2 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 3.35 |
experimental value |
| 2.3061 |
Tab2.Model_2: logKoc (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID2020426 | US EPA CompTox Dashboard |