Molecule ID: mol13799
SMILES: O=C(O)c1ccnc2ccccc12
InChI: InChI=1S/C10H7NO2/c12-10(13)8-5-6-11-9-4-2-1-3-7(8)9/h1-6H,(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.74 | QSARToolbox | 0 » -1 |
| 4.76 | Datawarrior | 0 » -1 |
| 4.76 | AttenGpKa training set | 0 » -1 |
| 4.76 | OCHEM | 0 » -1 |