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: | 78 | |
|---|---|---|
| Name: | diphenyl ether | |
| Description: | Original non-IUPAC name was: benzene, 1,1'-oxybis- | |
| Labels: | Training | |
| CAS: | 101-84-8 | |
| InChi Code: | InChI=1S/C12H10O/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H |
Properties
PBT_Index: PBT Index i
| Value | Source or prediction |
|---|---|
| 0.78 |
experimental value |
| 1.055 |
Eq1: Full model (Training set) |
| 1.033 |
Eq2: Split model (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID9021847 | US EPA CompTox Dashboard |