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: | 88 | |
|---|---|---|
| Name: | 4-nitrophenol | |
| Description: | ||
| Labels: | Training | |
| CAS: | 100-02-7 | |
| InChi Code: | InChI=1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H |
Properties
PBT_Index: PBT Index i
| Value | Source or prediction |
|---|---|
| -0.81 |
experimental value |
| -0.33 |
Eq1: Full Model (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID0021834 | US EPA CompTox Dashboard |