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: | 1159 | |
|---|---|---|
| Name: | 3,4-dimethylaniline | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 3.4-dimethylaniline | |
| Labels: | ||
| CAS: | 95-64-7 | |
| InChi Code: | InChI=1S/C8H11N/c1-6-3-4-8(9)5-7(6)2/h3-5H,9H2,1-2H3 |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| -0.989174539 |
experimental value |
| -0.7578 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID3026308 | US EPA CompTox Dashboard |