Molecule ID: mol12589
SMILES: NC(=O)CC(=O)c1cccnc1
InChI: InChI=1S/C8H8N2O2/c9-8(12)4-7(11)6-2-1-3-10-5-6/h1-3,5H,4H2,(H2,9,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.61 | QSARToolbox | 0 » -1 |
| 8.61 | OCHEM | 0 » -1 |
| 8.61 | Datawarrior | 0 » -1 |
| 8.61 | AttenGpKa training set | 0 » -1 |