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: | 249 | |
|---|---|---|
| Name: | metolachlor | |
| Description: | ||
| Labels: | Training | |
| CAS: | 51218-45-2 | |
| InChi Code: | InChI=1S/C15H22ClNO2/c1-5-13-8-6-7-11(2)15(13)17(14(18)9-16)12(3)10-19-4/h6-8,12H,5,9-10H2,1-4H3 |
Properties
PBT_Index: PBT Index i
| Value | Source or prediction |
|---|---|
| 1.13 |
experimental value |
| 0.33 |
Eq1: Full Model (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID4022448 | US EPA CompTox Dashboard |