Molecule ID: mol10096
SMILES: Oc1cccc2cn[nH]c12
InChI: InChI=1S/C7H6N2O/c10-6-3-1-2-5-4-8-9-7(5)6/h1-4,10H,(H,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.60 | IUPAC digitized pKa | 0 » -1 |
| 8.60 | Datawarrior | 0 » -1 |
| 8.60 | OCHEM | 0 » -1 |
| 8.60 | AttenGpKa training set | 0 » -1 |
| 8.60 | QSARToolbox | 0 » -1 |
| 8.60 | OCHEM | 0 » -1 |