Molecule ID: mol14794
SMILES: NC(=O)CN(CCN(CC(N)=O)Cc1ccccc1O)Cc1ccccc1O
InChI: InChI=1S/C20H26N4O4/c21-19(27)13-23(11-15-5-1-3-7-17(15)25)9-10-24(14-20(22)28)12-16-6-2-4-8-18(16)26/h1-8,25-26H,9-14H2,(H2,21,27)(H2,22,28)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.89 | QSARToolbox | 3 » 2 |
| 1.89 | Datawarrior | 3 » 2 |
| 6.54 | Datawarrior | 1 » 0 |
| 6.54 | OCHEM | 1 » 0 |
| 10.16 | Datawarrior | -1 » -2 |
| 10.58 | OCHEM | -1 » -2 |
| 11.00 | Datawarrior | 0 » -1 |