Molecule ID: mol8071
SMILES: CC(C)Oc1nc(N)nc2nc(O)c(O)nc12
InChI: InChI=1S/C9H11N5O3/c1-3(2)17-8-4-5(13-9(10)14-8)12-7(16)6(15)11-4/h3H,1-2H3,(H,11,15)(H3,10,12,13,14,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.82 | IUPAC digitized pKa | 1 » 0 |
| 8.46 | IUPAC digitized pKa | 0 » -1 |
| 12.20 | IUPAC digitized pKa | -1 » -2 |