Papa, E.; Gramatica, P. QSPR as a support for the EU REACH regulation and rational design of environmentally safer chemicals: PBT identification from molecular structure. Green Chem. 2010, 12, 836-843.
Compound
| ID: | 246 | |
|---|---|---|
| Name: | 1,2,4-trichlorodibenzo-p-dioxin | |
| Description: | ||
| Labels: | Training | |
| 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
PBT_Index: PBT Index i
| Value | Source or prediction |
|---|---|
| 2.32 |
experimental value |
| 2.93 |
Eq1: Full Model (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID50192489 | US EPA CompTox Dashboard |