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: | 1038 | |
|---|---|---|
| Name: | 1-bromo-2-chloro-4-nitrobenzene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 3-Chloro-4-bromonitrobenzene The representation of nitro groups was fixed | |
| Labels: | ||
| CAS: | 29682-39-1 | |
| InChi Code: | InChI=1S/C6H3BrClNO2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 2.6 |
experimental value |
| 2.6456 |
Tab2.Model_2: logKoc (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID70183839 | US EPA CompTox Dashboard |