Molecule ID: mol1090
SMILES: Cc1c(C)c([N+](=O)[O-])c(C)c(C)c1N
InChI: InChI=1S/C10H14N2O2/c1-5-7(3)10(12(13)14)8(4)6(2)9(5)11/h11H2,1-4H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.36 | QSARToolbox | 1 » 0 |
| 2.36 | IUPAC digitized pKa | 1 » 0 |
| 2.36 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 2.36 | OCHEM | 1 » 0 |
| 2.36 | Hunt | 1 » 0 |
| 2.36 | OCHEM | 1 » 0 |
| 2.36 | OCHEM | 1 » 0 |
| 2.36 | OCHEM | 1 » 0 |
| 2.36 | AttenGpKa training set | 1 » 0 |