Molecule ID: mol14639
SMILES: O=[N+]([O-])c1cc(-c2ccccc2)nnc1NCCN1CCOCC1
InChI: InChI=1S/C16H19N5O3/c22-21(23)15-12-14(13-4-2-1-3-5-13)18-19-16(15)17-6-7-20-8-10-24-11-9-20/h1-5,12H,6-11H2,(H,17,19)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.20 | Datawarrior | 2 » 1 |
| 0.20 | QSARToolbox | 2 » 1 |
| 6.56 | OCHEM | 1 » 0 |
| 6.56 | Datawarrior | 1 » 0 |