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: | 47 | |
|---|---|---|
| Name: | chloroacetic acid | |
| Description: | ||
| Labels: | Training | |
| CAS: | 79-11-8 | |
| InChi Code: | InChI=1S/C2H3ClO2/c3-1-2(4)5/h1H2,(H,4,5) |
Properties
PBT_Index: PBT Index i
| Value | Source or prediction |
|---|---|
| -1.37 |
experimental value |
| -1.13 |
Eq1: Full Model (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID4020901 | US EPA CompTox Dashboard |