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: | 9 | |
|---|---|---|
| Name: | gamma-hexachlorocyclohexane | |
| Description: | ||
| Labels: | Training | |
| CAS: | 58-89-9 | |
| InChi Code: | InChI=1S/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H/t1-,2-,3-,4+,5+,6+ |
Properties
PBT_Index: PBT Index i
| Value | Source or prediction |
|---|---|
| 2.02 |
experimental value |
| 2.32 |
Eq1: Full Model (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID2020686 | US EPA CompTox Dashboard |