Molecule ID: mol7313
SMILES: Nc1cc(Oc2ccccc2)nc(N)n1
InChI: InChI=1S/C10H10N4O/c11-8-6-9(14-10(12)13-8)15-7-4-2-1-3-5-7/h1-6H,(H4,11,12,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.80 | IUPAC digitized pKa | 1 » 0 |
| 4.80 | OCHEM | 1 » 0 |
| 4.80 | AttenGpKa training set | 1 » 0 |
| 4.80 | QSARToolbox | 1 » 0 |