Molecule ID: mol4751
SMILES: N#CCC1Nc2ncncc2N=C1O
InChI: InChI=1S/C8H7N5O/c9-2-1-5-8(14)13-6-3-10-4-11-7(6)12-5/h3-5H,1H2,(H,13,14)(H,10,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.16 | IUPAC digitized pKa | 1 » 0 |
| 9.91 | IUPAC digitized pKa | -1 » -2 |