Gramatica, P.; Chirico, N.; Papa, E.; Cassani, S.; Kovarich, S. QSARINS: A new software for the development, analysis, and validation of QSAR MLR models. Journal of Computational Chemistry 2013, 34, 2121–2132.
Compound
| ID: | 95 | |
|---|---|---|
| Name: | 2,2'-dichlorodiisopropyl ether | |
| Description: | Was: propane, 2,2'-oxybis(1-chloro- | |
| Labels: | Validation | |
| CAS: | 108-60-1 | |
| InChi Code: | InChI=1S/C6H12Cl2O/c1-5(3-7)9-6(2)4-8/h5-6H,3-4H2,1-2H3 |
Properties
PBT_Index: PBT Index i
| Value | Source or prediction |
|---|---|
| -0.57 |
experimental value |
| -0.287 |
Eq1: Full model (Training set) |
| -0.281 |
Eq2: Split model (Validation set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID4020167 | US EPA CompTox Dashboard |