Molecule ID: mol13798
SMILES: O=C(O)c1cnc2ccccc2c1
InChI: InChI=1S/C10H7NO2/c12-10(13)8-5-7-3-1-2-4-9(7)11-6-8/h1-6H,(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.17 | AttenGpKa training set | 1 » 0 |
| 4.68 | OCHEM | 0 » -1 |
| 4.68 | QSARToolbox | 0 » -1 |
| 4.68 | Datawarrior | 0 » -1 |
| 4.68 | AttenGpKa training set | 0 » -1 |