Molecule ID: mol14626
SMILES: O=C(O)c1cc(-c2ccccc2)nnc1NCCN1CCOCC1
InChI: InChI=1S/C17H20N4O3/c22-17(23)14-12-15(13-4-2-1-3-5-13)19-20-16(14)18-6-7-21-8-10-24-11-9-21/h1-5,12H,6-11H2,(H,18,20)(H,22,23)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.10 | Datawarrior | 2 » 1 |
| 1.10 | OCHEM | 2 » 1 |
| 3.33 | QSARToolbox | 1 » 0 |
| 3.33 | Datawarrior | 1 » 0 |
| 7.07 | Datawarrior | 0 » -1 |
| 7.07 | OCHEM | 0 » -1 |