Molecule ID: mol7853
SMILES: Cc1nc(C(N)=O)c2cc(F)ccc2n1
InChI: InChI=1S/C10H8FN3O/c1-5-13-8-3-2-6(11)4-7(8)9(14-5)10(12)15/h2-4H,1H3,(H2,12,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.03 | IUPAC digitized pKa | 1 » 0 |
| 1.30 | QSARToolbox | 1 » 0 |
| 4.13 | QSARToolbox | 1 » 0 |
| 4.21 | AttenGpKa training set | 1 » 0 |