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: | 104 | |
|---|---|---|
| Name: | 2-propenenitrile | |
| Description: | ||
| Labels: | Training | |
| CAS: | 107-13-1 | |
| InChi Code: | InChI=1S/C3H3N/c1-2-3-4/h2H,1H2 |
Properties
PBT_Index: PBT Index i
| Value | Source or prediction |
|---|---|
| -0.87 |
experimental value |
| -1.13 |
Eq1: Full Model (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID5020029 | US EPA CompTox Dashboard |