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: | 130 | |
|---|---|---|
| Name: | diphenylamine | |
| Description: | Original non-IUPAC name was: benzenamine, n-phenyl | |
| Labels: | Training | |
| CAS: | 122-39-4 | |
| InChi Code: | InChI=1S/C12H11N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10,13H |
Properties
PBT_Index: PBT Index i
| Value | Source or prediction |
|---|---|
| 0.42 |
experimental value |
| 0.742 |
Eq1: Full model (Training set) |
| 0.738 |
Eq2: Split model (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID4021975 | US EPA CompTox Dashboard |