Molecule ID: mol14996
SMILES: CCOC(=O)c1cc(-c2ccccc2)nnc1NCCN1CCOCC1
InChI: InChI=1S/C19H24N4O3/c1-2-26-19(24)16-14-17(15-6-4-3-5-7-15)21-22-18(16)20-8-9-23-10-12-25-13-11-23/h3-7,14H,2,8-13H2,1H3,(H,20,22)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.50 | Datawarrior | 2 » 1 |
| 1.50 | QSARToolbox | 2 » 1 |
| 6.67 | Datawarrior | 1 » 0 |
| 6.67 | OCHEM | 1 » 0 |