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: | 81 | |
|---|---|---|
| Name: | phenyloxirane | |
| Description: | ||
| Labels: | Training | |
| CAS: | 96-09-3 | |
| InChi Code: | InChI=1S/C8H8O/c1-2-4-7(5-3-1)8-6-9-8/h1-5,8H,6H2 |
Properties
PBT_Index: PBT Index i
| Value | Source or prediction |
|---|---|
| -0.17 |
experimental value |
| -0.27 |
Eq1: Full Model (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID2021286 | US EPA CompTox Dashboard |