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: | 87 | |
|---|---|---|
| Name: | 1-methyl-4-nitrobenzene | |
| Description: | ||
| Labels: | Training | |
| CAS: | 99-99-0 | |
| InChi Code: | InChI=1S/C7H7NO2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3 |
Properties
PBT_Index: PBT Index i
| Value | Source or prediction |
|---|---|
| -0.5 |
experimental value |
| 0.05 |
Eq1: Full Model (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID5023792 | US EPA CompTox Dashboard |