Molecule ID: mol32521
SMILES: Oc1ccccc1C=Nc1ncc2nc[nH]c2n1
InChI: InChI=1S/C12H9N5O/c18-10-4-2-1-3-8(10)5-13-12-14-6-9-11(17-12)16-7-15-9/h1-7,18H,(H,14,15,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.38 | OCHEM | 1 » 0 |
| 3.38 | QSARToolbox | 1 » 0 |
| 9.19 | OCHEM | 0 » -1 |