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: | 598 | |
|---|---|---|
| Name: | 3,6-dichloro-2-methoxybenzoic acid | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Dicamba | |
| Labels: | ||
| CAS: | 1918-00-9 | |
| InChi Code: | InChI=1S/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12) |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 1.5 |
experimental value |
| 2.2581 |
Tab2.Model_2: logKoc (Training set) |
M3.GHLI: Global half-life index i
| Value | Source or prediction |
|---|---|
| -0.23282 |
experimental value |
| -0.2182 |
Tab2.Model_3: Global half-life index (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID4024018 | US EPA CompTox Dashboard |