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: | 425 | |
|---|---|---|
| Name: | 2,2-dichloropropanoic acid | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Dalapon | |
| Labels: | ||
| CAS: | 75-99-0 | |
| InChi Code: | InChI=1S/C3H4Cl2O2/c1-3(4,5)2(6)7/h1H3,(H,6,7) |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 0.44 |
experimental value |
| 1.1611 |
Tab2.Model_2: logKoc (Training set) |
M3.GHLI: Global half-life index i
| Value | Source or prediction |
|---|---|
| 0.90374 |
experimental value |
| -0.8166 |
Tab2.Model_3: Global half-life index (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID2021575 | US EPA CompTox Dashboard |