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: | 969 | |
|---|---|---|
| Name: | 3-chloro-4-methoxyaniline | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 3-Chloro-4-methoxyaniline | |
| Labels: | ||
| CAS: | 5345-54-0 | |
| InChi Code: | InChI=1S/C7H8ClNO/c1-10-7-3-2-5(9)4-6(7)8/h2-4H,9H2,1H3 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 1.93 |
experimental value |
| 2.4476 |
Tab2.Model_2: logKoc (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID00201616 | US EPA CompTox Dashboard |