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: | 12 | |
|---|---|---|
| Name: | dieldrin | |
| Description: | ||
| Labels: | Training | |
| CAS: | 60-57-1 | |
| InChi Code: | InChI=1S/C12H8Cl6O/c13-8-9(14)11(16)5-3-1-2(6-7(3)19-6)4(5)10(8,15)12(11,17)18/h2-7H,1H2/t2-,3+,4+,5-,6-,7+,10+,11- |
Properties
PBT_Index: PBT Index i
| Value | Source or prediction |
|---|---|
| 2.64 |
experimental value |
| 2.46 |
Eq1: Full Model (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID9020453 | US EPA CompTox Dashboard |