Molecule ID: mol8822
SMILES: NNc1ccccc1C(=O)O
InChI: InChI=1S/C7H8N2O2/c8-9-6-4-2-1-3-5(6)7(10)11/h1-4,9H,8H2,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.45 | IUPAC digitized pKa | 1 » 0 |
| 3.45 | AttenGpKa training set | 1 » 0 |
| 3.45 | QSARToolbox | 1 » 0 |
| 3.45 | QSARToolbox | 1 » 0 |