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: | 95 | |
|---|---|---|
| Name: | benzeneacetic acid | |
| Description: | ||
| Labels: | Training | |
| CAS: | 103-82-2 | |
| InChi Code: | InChI=1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10) |
Properties
PBT_Index: PBT Index i
| Value | Source or prediction |
|---|---|
| -0.29 |
experimental value |
| -0.56 |
Eq1: Full Model (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID2021656 | US EPA CompTox Dashboard |