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: | 124 | |
|---|---|---|
| Name: | cyclohexanone | |
| Description: | ||
| Labels: | Training | |
| CAS: | 108-94-1 | |
| InChi Code: | InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2 |
Properties
PBT_Index: PBT Index i
| Value | Source or prediction |
|---|---|
| -1.31 |
experimental value |
| -1.49 |
Eq1: Full Model (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID6020359 | US EPA CompTox Dashboard |