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: | 887 | |
|---|---|---|
| Name: | 2,6-dichlorobenzonitrile | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Dichlobenil | |
| Labels: | ||
| CAS: | 1194-65-6 | |
| InChi Code: | InChI=1S/C7H3Cl2N/c8-6-2-1-3-7(9)5(6)4-10/h1-3H |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 2.38 |
experimental value |
| 2.2654 |
Tab2.Model_2: logKoc (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID5032365 | US EPA CompTox Dashboard |