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: | 20 | |
|---|---|---|
| Name: | benzoic acid | |
| Description: | ||
| Labels: | Training | |
| CAS: | 65-85-0 | |
| InChi Code: | InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9) |
Properties
PBT_Index: PBT Index i
| Value | Source or prediction |
|---|---|
| -0.59 |
experimental value |
| -0.56 |
Eq1: Full Model (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID6020143 | US EPA CompTox Dashboard |