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: | 896 | |
|---|---|---|
| Name: | 3,5-dibromo-4-hydroxybenzonitrile | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Bromoxynil | |
| Labels: | ||
| CAS: | 1689-84-5 | |
| InChi Code: | InChI=1S/C7H3Br2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 2.28 |
experimental value |
| 2.6567 |
Tab2.Model_2: logKoc (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID3022162 | US EPA CompTox Dashboard |