Molecule ID: mol14453
SMILES: CCN(CC)Cc1cc([N+](=O)[O-])ccc1O
InChI: InChI=1S/C11H16N2O3/c1-3-12(4-2)8-9-7-10(13(15)16)5-6-11(9)14/h5-7,14H,3-4,8H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.75 | Datawarrior | 1 » 0 |
| 5.75 | OCHEM | 1 » 0 |
| 5.75 | QSARToolbox | 1 » 0 |
| 10.99 | Datawarrior | 0 » -1 |
| 10.99 | OCHEM | 0 » -1 |