Molecule ID: mol13245
SMILES: CN(C)Cc1cc([N+](=O)[O-])ccc1O
InChI: InChI=1S/C9H12N2O3/c1-10(2)6-7-5-8(11(13)14)3-4-9(7)12/h3-5,12H,6H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.75 | Datawarrior | 1 » 0 |
| 5.75 | OCHEM | 1 » 0 |
| 9.93 | Datawarrior | 0 » -1 |
| 9.93 | OCHEM | 0 » -1 |