Molecule ID: mol11146
SMILES: C[N+](C)(C)c1ccc(O)c([N+](=O)[O-])c1
InChI: InChI=1S/C9H12N2O3/c1-11(2,3)7-4-5-9(12)8(6-7)10(13)14/h4-6H,1-3H3/p+1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.03 | IUPAC digitized pKa | 1 » 0 |
| 5.03 | Datawarrior | 1 » 0 |
| 5.03 | AttenGpKa training set | 1 » 0 |
| 5.03 | OCHEM | 1 » 0 |
| 5.03 | QSARToolbox | 1 » 0 |