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: | 1222 | |
|---|---|---|
| Name: | triphenylene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Triphenylene | |
| Labels: | ||
| CAS: | 217-59-4 | |
| InChi Code: | InChI=1S/C18H12/c1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5-10-16(14)18/h1-12H |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| -0.079174539 |
experimental value |
| 0.3277 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID9059757 | US EPA CompTox Dashboard |