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: | 451 | |
|---|---|---|
| Name: | 2-(2,4-dichlorophenoxy)acetic acid | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 2,4-D acid | |
| Labels: | ||
| CAS: | 94-75-7 | |
| InChi Code: | InChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12) |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 1.48 |
experimental value |
| 2.3265 |
Tab2.Model_2: logKoc (Training set) |
M3.GHLI: Global half-life index i
| Value | Source or prediction |
|---|---|
| -1.14365 |
experimental value |
| 0.0048 |
Tab2.Model_3: Global half-life index (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID0020442 | US EPA CompTox Dashboard |