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: | 1197 | |
|---|---|---|
| Name: | nonane | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: N-nonane | |
| Labels: | ||
| CAS: | 111-84-2 | |
| InChi Code: | InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3 |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| 0.970825461 |
experimental value |
| 0.1735 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID9025796 | US EPA CompTox Dashboard |