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: | 231 | |
|---|---|---|
| Name: | mecoprop | |
| Description: | ||
| Labels: | Training | |
| CAS: | 7085-19-0 | |
| InChi Code: | InChI=1S/C10H11ClO3/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13/h3-5,7H,1-2H3,(H,12,13) |
Properties
PBT_Index: PBT Index i
| Value | Source or prediction |
|---|---|
| 0.28 |
experimental value |
| 0.06 |
Eq1: Full Model (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID9024194 | US EPA CompTox Dashboard |