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: | 65 | |
|---|---|---|
| Name: | quinoline | |
| Description: | ||
| Labels: | Training | |
| CAS: | 91-22-5 | |
| InChi Code: | InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H |
Properties
PBT_Index: PBT Index i
| Value | Source or prediction |
|---|---|
| -0.61 |
experimental value |
| 0.84 |
Eq1: Full Model (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID1021798 | US EPA CompTox Dashboard |