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: | 150 | |
|---|---|---|
| Name: | 2-methyl-4,6-dinitrophenol | |
| Description: | Molfile has been corrected for the nitro group(s). | |
| Labels: | Training | |
| CAS: | 534-52-1 | |
| InChi Code: | InChI=1S/C7H6N2O5/c1-4-2-5(8(11)12)3-6(7(4)10)9(13)14/h2-3,10H,1H3 |
Properties
PBT_Index: PBT Index i
| Value | Source or prediction |
|---|---|
| 0.18 |
experimental value |
| -0.292 |
Eq1: Full model (Training set) |
| -0.373 |
Eq2: Split model (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID1022053 | US EPA CompTox Dashboard |