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: | 772 | |
|---|---|---|
| Name: | 3-amino-2,5-dichlorobenzoic acid | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Chlorambed | |
| Labels: | ||
| CAS: | 133-90-4 | |
| InChi Code: | InChI=1S/C7H5Cl2NO2/c8-3-1-4(7(11)12)6(9)5(10)2-3/h1-2H,10H2,(H,11,12) |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 1.4 |
experimental value |
| 1.8467 |
Tab2.Model_2: logKoc (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID2020262 | US EPA CompTox Dashboard |