Molecule ID: mol8205
SMILES: CNc1ncc2ncc(O)nc2n1
InChI: InChI=1S/C7H7N5O/c1-8-7-10-2-4-6(12-7)11-5(13)3-9-4/h2-3H,1H3,(H2,8,10,11,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.08 | AttenGpKa training set | 1 » 0 |
| 7.59 | AttenGpKa training set | 0 » -1 |
| 7.64 | IUPAC digitized pKa | 0 » -1 |