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: | 1066 | |
|---|---|---|
| Name: | methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Bifenox The representation of nitro groups was fixed | |
| Labels: | ||
| CAS: | 42576-02-3 | |
| InChi Code: | InChI=1S/C14H9Cl2NO5/c1-21-14(18)10-7-9(3-4-12(10)17(19)20)22-13-5-2-8(15)6-11(13)16/h2-7H,1H3 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 3.66 |
experimental value |
| 3.7074 |
Tab2.Model_2: logKoc (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID1040320 | US EPA CompTox Dashboard |