Molecule ID: mol10095
SMILES: Oc1ccc2[nH]ncc2c1
InChI: InChI=1S/C7H6N2O/c10-6-1-2-7-5(3-6)4-8-9-7/h1-4,10H,(H,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.05 | IUPAC digitized pKa | 0 » -1 |
| 10.05 | Datawarrior | 0 » -1 |
| 10.05 | OCHEM | 0 » -1 |
| 10.05 | AttenGpKa training set | 0 » -1 |
| 10.05 | QSARToolbox | 0 » -1 |