Molecule ID: mol11546
SMILES: Nc1nc2[nH]nc(-c3ccccc3)nc-2c(=O)n1
InChI: InChI=1S/C11H8N6O/c12-11-14-9-7(10(18)15-11)13-8(16-17-9)6-4-2-1-3-5-6/h1-5H,(H3,12,14,15,17,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.00 | IUPAC digitized pKa | 1 » 0 |
| 6.77 | IUPAC digitized pKa | 0 » -1 |