Molecule ID: mol4704
SMILES: CC(=O)CC1Nc2ncncc2N=C1O
InChI: InChI=1S/C9H10N4O2/c1-5(14)2-6-9(15)13-7-3-10-4-11-8(7)12-6/h3-4,6H,2H2,1H3,(H,13,15)(H,10,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.69 | IUPAC digitized pKa | 1 » 0 |
| 10.81 | IUPAC digitized pKa | 0 » -1 |