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: | 70 | |
|---|---|---|
| Name: | 4-(2,4-dichlorophenoxy)butanoic acid | |
| Description: | Name corrected, was: 2,4-dichlorophenoxybutyric acid | |
| Labels: | Training | |
| CAS: | 94-82-6 | |
| InChi Code: | InChI=1S/C10H10Cl2O3/c11-7-3-4-9(8(12)6-7)15-5-1-2-10(13)14/h3-4,6H,1-2,5H2,(H,13,14) |
Properties
PBT_Index: PBT Index i
| Value | Source or prediction |
|---|---|
| 0.66 |
experimental value |
| 0.74 |
Eq1: Full Model (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID7024035 | US EPA CompTox Dashboard |