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: | 63 | |
|---|---|---|
| Name: | 1-methylnaphthalene | |
| Description: | ||
| Labels: | Training | |
| CAS: | 90-12-0 | |
| InChi Code: | InChI=1S/C11H10/c1-9-5-4-7-10-6-2-3-8-11(9)10/h2-8H,1H3 |
Properties
PBT_Index: PBT Index i
| Value | Source or prediction |
|---|---|
| 0.57 |
experimental value |
| 0.91 |
Eq1: Full Model (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID9020877 | US EPA CompTox Dashboard |