Molecule ID: mol14746
SMILES: CCN(CC)Cc1cc([N+](=O)[O-])c2ccccc2c1O
InChI: InChI=1S/C15H18N2O3/c1-3-16(4-2)10-11-9-14(17(19)20)12-7-5-6-8-13(12)15(11)18/h5-9,18H,3-4,10H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.82 | OCHEM | 1 » 0 |
| 2.82 | QSARToolbox | 1 » 0 |
| 2.82 | Datawarrior | 1 » 0 |
| 11.04 | Datawarrior | 0 » -1 |
| 11.04 | OCHEM | 0 » -1 |