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: | 62 | |
|---|---|---|
| Name: | 2-methylaniline | |
| Description: | Original non-IUPAC name was: benzenamine, 2-methyl- | |
| Labels: | Training | |
| CAS: | 95-53-4 | |
| InChi Code: | InChI=1S/C7H9N/c1-6-4-2-3-5-7(6)8/h2-5H,8H2,1H3 |
Properties
PBT_Index: PBT Index i
| Value | Source or prediction |
|---|---|
| -0.94 |
experimental value |
| -1.011 |
Eq1: Full model (Training set) |
| -1.057 |
Eq2: Split model (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID1026164 | US EPA CompTox Dashboard |