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: | 1253 | |
|---|---|---|
| Name: | 1-ethyl-2-nitrobenzene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 2-ethylnitrobenzene The representation of nitro groups was fixed | |
| Labels: | ||
| CAS: | 612-22-6 | |
| InChi Code: | InChI=1S/C8H9NO2/c1-2-7-5-3-4-6-8(7)9(10)11/h3-6H,2H2,1H3 |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| -0.564174539 |
experimental value |
| -0.5521 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID4073209 | US EPA CompTox Dashboard |