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: | 1 | |
|---|---|---|
| Name: | p,p'-DDT | |
| Description: | ||
| Labels: | Training | |
| CAS: | 50-29-3 | |
| InChi Code: | InChI=1S/C14H9Cl5/c15-11-5-1-9(2-6-11)13(14(17,18)19)10-3-7-12(16)8-4-10/h1-8,13H |
Properties
PBT_Index: PBT Index i
| Value | Source or prediction |
|---|---|
| 3.85 |
experimental value |
| 4.24 |
Eq1: Full Model (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID4020375 | US EPA CompTox Dashboard |