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: | 981 | |
|---|---|---|
| Name: | methyl 3-amino-2,5-dichlorobenzoate | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Chloramben methyl | |
| Labels: | ||
| CAS: | 7286-84-2 | |
| InChi Code: | InChI=1S/C8H7Cl2NO2/c1-13-8(12)5-2-4(9)3-6(11)7(5)10/h2-3H,11H2,1H3 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 2.74 |
experimental value |
| 1.9868 |
Tab2.Model_2: logKoc (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID1041762 | US EPA CompTox Dashboard |