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: | 1360 | |
|---|---|---|
| Name: | 9-butylphenanthrene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 9-n butylphenanthrene | |
| Labels: | ||
| CAS: | 10394-57-7 | |
| InChi Code: | InChI=1S/C18H18/c1-2-3-8-14-13-15-9-4-5-10-17(15)18-12-7-6-11-16(14)18/h4-7,9-13H,2-3,8H2,1H3 |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| 0.290825461 |
experimental value |
| 0.6019 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID00345600 | US EPA CompTox Dashboard |