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: | 975 | |
|---|---|---|
| Name: | 4-bromo-3-methylaniline | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 3-Methyl-4-bromoaniline | |
| Labels: | ||
| CAS: | 6933-10-4 | |
| InChi Code: | InChI=1S/C7H8BrN/c1-5-4-6(9)2-3-7(5)8/h2-4H,9H2,1H3 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 2.26 |
experimental value |
| 2.563 |
Tab2.Model_2: logKoc (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID10219383 | US EPA CompTox Dashboard |