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: | 623 | |
|---|---|---|
| Name: | 1,2,4-trichlorooxanthrene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 1.2.4-Trichlorodibenzo[b.e][1.4]dioxin | |
| Labels: | ||
| CAS: | 39227-58-2 | |
| InChi Code: | InChI=1S/C12H5Cl3O2/c13-6-5-7(14)11-12(10(6)15)17-9-4-2-1-3-8(9)16-11/h1-5H |
Properties
M3.GHLI: Global half-life index i
| Value | Source or prediction |
|---|---|
| 1.05847 |
experimental value |
| 1.9155 |
Tab2.Model_3: Global half-life index (Training set) |
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| 0.430825461 |
experimental value |
| 1.4231 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID50192489 | US EPA CompTox Dashboard |