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: | 897 | |
|---|---|---|
| Name: | 2,6-dibromo-4-cyanophenyl octanoate | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Bromoxynil octanoate | |
| Labels: | ||
| CAS: | 1689-99-2 | |
| InChi Code: | InChI=1S/C15H17Br2NO2/c1-2-3-4-5-6-7-14(19)20-15-12(16)8-11(10-18)9-13(15)17/h8-9H,2-7H2,1H3 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 4 |
experimental value |
| 3.7443 |
Tab2.Model_2: logKoc (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID7023932 | US EPA CompTox Dashboard |