Molecule ID: mol7854
SMILES: Cc1nc(C(N)=O)c2ccccc2n1
InChI: InChI=1S/C10H9N3O/c1-6-12-8-5-3-2-4-7(8)9(13-6)10(11)14/h2-5H,1H3,(H2,11,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.57 | IUPAC digitized pKa | 1 » 0 |
| 1.57 | QSARToolbox | 1 » 0 |
| 4.36 | QSARToolbox | 1 » 0 |
| 4.40 | AttenGpKa training set | 1 » 0 |