Molecule ID: mol25985
SMILES: Cc1cccc(-c2nnn(CC(=O)O)n2)c1
InChI: InChI=1S/C10H10N4O2/c1-7-3-2-4-8(5-7)10-11-13-14(12-10)6-9(15)16/h2-5H,6H2,1H3,(H,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -4.05 | AttenGpKa training set | 1 » 0 |
| 3.30 | QSARToolbox | 0 » -1 |
| 3.30 | QSARToolbox | 0 » -1 |