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: | 206 | |
|---|---|---|
| Name: | pentachlorobenzene | |
| Description: | ||
| Labels: | Training | |
| CAS: | 608-93-5 | |
| InChi Code: | InChI=1S/C6HCl5/c7-2-1-3(8)5(10)6(11)4(2)9/h1H |
Properties
PBT_Index: PBT Index i
| Value | Source or prediction |
|---|---|
| 3.41 |
experimental value |
| 2.98 |
Eq1: Full Model (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID7024247 | US EPA CompTox Dashboard |