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: | 44 | |
|---|---|---|
| Name: | 2,6-dimethylaniline | |
| Description: | Original non-IUPAC name was: benzenamine, 2,6-dimethyl- | |
| Labels: | Validation | |
| CAS: | 87-62-7 | |
| InChi Code: | InChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3 |
Properties
PBT_Index: PBT Index i
| Value | Source or prediction |
|---|---|
| -0.09 |
experimental value |
| -1.021 |
Eq1: Full model (Training set) |
| -1.071 |
Eq2: Split model (Validation set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID8026307 | US EPA CompTox Dashboard |