Molecule ID: mol8044
SMILES: CC(C)Oc1nc(N)nc2nc(O)c(C#N)nc12
InChI: InChI=1S/C10H10N6O2/c1-4(2)18-9-6-7(15-10(12)16-9)14-8(17)5(3-11)13-6/h4H,1-2H3,(H3,12,14,15,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -0.17 | IUPAC digitized pKa | 1 » 0 |
| 5.95 | IUPAC digitized pKa | 0 » -1 |