Molecule ID: mol7611
SMILES: Nc1nc(O)nc(-c2ccccc2)n1
InChI: InChI=1S/C9H8N4O/c10-8-11-7(12-9(14)13-8)6-4-2-1-3-5-6/h1-5H,(H3,10,11,12,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.00 | IUPAC digitized pKa | 1 » 0 |
| 3.00 | AttenGpKa training set | 1 » 0 |
| 8.10 | IUPAC digitized pKa | 0 » -1 |
| 8.10 | OCHEM | 0 » -1 |
| 8.10 | AttenGpKa training set | 0 » -1 |