Molecule ID: mol14648
SMILES: Cc1ccc([N+](=O)[O-])cc1C(=NCCCN(C)C)c1ccccc1
InChI: InChI=1S/C19H23N3O2/c1-15-10-11-17(22(23)24)14-18(15)19(16-8-5-4-6-9-16)20-12-7-13-21(2)3/h4-6,8-11,14H,7,12-13H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.14 | Datawarrior | 2 » 1 |
| 3.14 | QSARToolbox | 2 » 1 |
| 8.80 | Datawarrior | 1 » 0 |
| 8.80 | OCHEM | 1 » 0 |