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: | 1129 | |
|---|---|---|
| Name: | 2-nitropropane | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Propane. 2-nitro- The representation of nitro groups was fixed | |
| Labels: | ||
| CAS: | 79-46-9 | |
| InChi Code: | InChI=1S/C3H7NO2/c1-3(2)4(5)6/h3H,1-2H3 |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| -1.199174539 |
experimental value |
| -1.3973 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID6020981 | US EPA CompTox Dashboard |