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: | 79 | |
|---|---|---|
| Name: | 1,2,4,5-tetrachlorobenzene | |
| Description: | ||
| Labels: | Training | |
| CAS: | 95-94-3 | |
| InChi Code: | InChI=1S/C6H2Cl4/c7-3-1-4(8)6(10)2-5(3)9/h1-2H |
Properties
PBT_Index: PBT Index i
| Value | Source or prediction |
|---|---|
| 2.97 |
experimental value |
| 2.33 |
Eq1: Full Model (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID7024320 | US EPA CompTox Dashboard |