Molecule ID: mol8319
SMILES: CNc1ncc2[nH]cnc2n1
InChI: InChI=1S/C6H7N5/c1-7-6-8-2-4-5(11-6)10-3-9-4/h2-3H,1H3,(H2,7,8,9,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.99 | IUPAC digitized pKa | 1 » 0 |
| 4.01 | AttenGpKa training set | 1 » 0 |
| 10.32 | AttenGpKa training set | 0 » -1 |
| 10.37 | IUPAC digitized pKa | 0 » -1 |