Molecule ID: mol13957
SMILES: COC(=O)CC(=O)c1ccncc1
InChI: InChI=1S/C9H9NO3/c1-13-9(12)6-8(11)7-2-4-10-5-3-7/h2-5H,6H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.24 | QSARToolbox | 0 » -1 |
| 8.24 | OCHEM | 0 » -1 |
| 8.24 | Datawarrior | 0 » -1 |
| 8.24 | AttenGpKa training set | 0 » -1 |