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: | 226 | |
|---|---|---|
| Name: | 2-methoxytetrachlorophenol | |
| Description: | ||
| Labels: | Training | |
| CAS: | 2539-17-5 | |
| InChi Code: | InChI=1S/C7H4Cl4O2/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h12H,1H3 |
Properties
PBT_Index: PBT Index i
| Value | Source or prediction |
|---|---|
| 1.76 |
experimental value |
| 1.81 |
Eq1: Full Model (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID0044155 | US EPA CompTox Dashboard |