Molecule ID: mol32320
SMILES: Oc1ccc(C=Nc2ncc3nc[nH]c3n2)cc1
InChI: InChI=1S/C12H9N5O/c18-9-3-1-8(2-4-9)5-13-12-14-6-10-11(17-12)16-7-15-10/h1-7,18H,(H,14,15,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.27 | QSARToolbox | 1 » 0 |
| 3.27 | OCHEM | 1 » 0 |
| 8.62 | OCHEM | 0 » -1 |