Molecule ID: mol8146
SMILES: CC(C)C1=Nc2c(O)nc(O)nc2N(C)C1C(C)C
InChI: InChI=1S/C13H20N4O2/c1-6(2)8-10(7(3)4)17(5)11-9(14-8)12(18)16-13(19)15-11/h6-7,10H,1-5H3,(H2,15,16,18,19)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.72 | IUPAC digitized pKa | 2 » 1 |
| 8.98 | IUPAC digitized pKa | 0 » -1 |