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: | 80 | |
|---|---|---|
| Name: | 2,4,5-trichlorophenol | |
| Description: | ||
| Labels: | Training | |
| CAS: | 95-95-4 | |
| InChi Code: | InChI=1S/C6H3Cl3O/c7-3-1-5(9)6(10)2-4(3)8/h1-2,10H |
Properties
PBT_Index: PBT Index i
| Value | Source or prediction |
|---|---|
| 1.1 |
experimental value |
| 1.19 |
Eq1: Full Model (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID4024359 | US EPA CompTox Dashboard |