Molecule ID: mol7377
SMILES: Oc1cc(O)ncn1
InChI: InChI=1S/C4H4N2O2/c7-3-1-4(8)6-2-5-3/h1-2H,(H2,5,6,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.40 | IUPAC digitized pKa | 0 » -1 |
| 5.40 | Datawarrior | 0 » -1 |
| 5.40 | AttenGpKa training set | 0 » -1 |
| 5.40 | OCHEM | 0 » -1 |