Molecule ID: mol13244
SMILES: C[N+](C)(C)c1cc([N+](=O)[O-])ccc1O
InChI: InChI=1S/C9H12N2O3/c1-11(2,3)8-6-7(10(13)14)4-5-9(8)12/h4-6H,1-3H3/p+1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.35 | OCHEM | 1 » 0 |
| 4.35 | QSARToolbox | 1 » 0 |
| 4.35 | Datawarrior | 1 » 0 |