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: | 224 | |
|---|---|---|
| Name: | diallate | |
| Description: | ||
| Labels: | Training | |
| CAS: | 2303-16-4 | |
| InChi Code: | InChI=1S/C10H17Cl2NOS/c1-7(2)13(8(3)4)10(14)15-6-9(12)5-11/h5,7-8H,6H2,1-4H3/b9-5- |
Properties
PBT_Index: PBT Index i
| Value | Source or prediction |
|---|---|
| 0.39 |
experimental value |
| -0.07 |
Eq1: Full Model (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID2020391 | US EPA CompTox Dashboard |