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: | 42 | |
|---|---|---|
| Name: | N,N-diphenylnitrous amide | |
| Description: | Original non-IUPAC name was: benzenamine, N-nitroso-N-phenyl- | |
| Labels: | Validation | |
| CAS: | 86-30-6 | |
| InChi Code: | InChI=1S/C12H10N2O/c15-13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H |
Properties
PBT_Index: PBT Index i
| Value | Source or prediction |
|---|---|
| -0.35 |
experimental value |
| 1.173 |
Eq1: Full model (Training set) |
| 1.1 |
Eq2: Split model (Validation set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID6021030 | US EPA CompTox Dashboard |