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: | 792 | |
|---|---|---|
| Name: | acenaphthylene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Acenaphthylene | |
| Labels: | ||
| CAS: | 208-96-8 | |
| InChi Code: | InChI=1S/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 3.75 |
experimental value |
| 3.3886 |
Tab2.Model_2: logKoc (Training set) |
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| 0.518325461 |
experimental value |
| 0.6365 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID3023845 | US EPA CompTox Dashboard |