Molecule ID: mol6367
SMILES: Nc1cc(O)ccn1
InChI: InChI=1S/C5H6N2O/c6-5-3-4(8)1-2-7-5/h1-3H,(H3,6,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.69 | QSARToolbox | 1 » 0 |
| 5.04 | IUPAC digitized pKa | 1 » 0 |
| 5.40 | QSARToolbox | 1 » 0 |
| 10.69 | IUPAC digitized pKa | 0 » -1 |
| 10.70 | OCHEM | 0 » -1 |
| 10.70 | OCHEM | 0 » -1 |