Molecule ID: mol12593
SMILES: NC(=O)CC(=O)c1ccccn1
InChI: InChI=1S/C8H8N2O2/c9-8(12)5-7(11)6-3-1-2-4-10-6/h1-4H,5H2,(H2,9,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.23 | OCHEM | 0 » -1 |
| 8.23 | QSARToolbox | 0 » -1 |
| 8.23 | Datawarrior | 0 » -1 |
| 8.23 | AttenGpKa training set | 0 » -1 |