Molecule ID: mol8087
SMILES: CC(C)Oc1nc(N)nc2nc(O)cnc12
InChI: InChI=1S/C9H11N5O2/c1-4(2)16-8-6-7(13-9(10)14-8)12-5(15)3-11-6/h3-4H,1-2H3,(H3,10,12,13,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.74 | IUPAC digitized pKa | 2 » 1 |
| 7.60 | IUPAC digitized pKa | 0 » -1 |