Molecule ID: mol28020
SMILES: N=C(N)c1ccc(O)cc1
InChI: InChI=1S/C7H8N2O/c8-7(9)5-1-3-6(10)4-2-5/h1-4,10H,(H3,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.95 | AttenGpKa training set | 1 » 0 |
| 12.50 | OCHEM | 0 » -1 |
| 12.50 | OCHEM | 0 » -1 |
| 12.69 | QSARToolbox | 0 » -1 |
| 12.70 | AttenGpKa training set | 0 » -1 |