Molecule ID: mol3976
SMILES: Cc1nc(N)c(C(=O)O)nc1C
InChI: InChI=1S/C7H9N3O2/c1-3-4(2)10-6(8)5(9-3)7(11)12/h1-2H3,(H2,8,10)(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.00 | QSARToolbox | 1 » 0 |
| 1.00 | AttenGpKa training set | 1 » 0 |
| 4.46 | AttenGpKa training set | 0 » -1 |
| 4.48 | IUPAC digitized pKa | 0 » -1 |
| 4.48 | QSARToolbox | 0 » -1 |