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: | 1312 | |
|---|---|---|
| Name: | 7,12-dihydrotetraphene-7,12-dione | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Benz (a) anthracene-7.12-dione | |
| Labels: | ||
| CAS: | 2498-66-0 | |
| InChi Code: | InChI=1S/C18H10O2/c19-17-13-7-3-4-8-14(13)18(20)16-12-6-2-1-5-11(12)9-10-15(16)17/h1-10H |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| -0.839174539 |
experimental value |
| -0.4782 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |