Molecule ID: mol25480
SMILES: Cn1c(O)nn(-c2ccccc2)c1=O
InChI: InChI=1S/C9H9N3O2/c1-11-8(13)10-12(9(11)14)7-5-3-2-4-6-7/h2-6H,1H3,(H,10,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.70 | AttenGpKa training set | 0 » -1 |
| 4.73 | AttenGpKa training set | 0 » -1 |
| 4.96 | QSARToolbox | 0 » -1 |