Molecule ID: mol8268
SMILES: CC1=NC2(O)NC(O)=NC=C2N1Cc1ccccc1
InChI: InChI=1S/C13H14N4O2/c1-9-15-13(19)11(7-14-12(18)16-13)17(9)8-10-5-3-2-4-6-10/h2-7,19H,8H2,1H3,(H2,14,16,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.91 | IUPAC digitized pKa | 2 » 1 |
| 8.49 | IUPAC digitized pKa | 0 » -1 |