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: | 99 | |
|---|---|---|
| Name: | 4-chloroaniline | |
| Description: | Original non-IUPAC name was: benzenamine, 4-chloro- | |
| Labels: | Training | |
| CAS: | 106-47-8 | |
| InChi Code: | InChI=1S/C6H6ClN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2 |
Properties
PBT_Index: PBT Index i
| Value | Source or prediction |
|---|---|
| -0.98 |
experimental value |
| -0.38 |
Eq1: Full Model (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID9020295 | US EPA CompTox Dashboard |