Molecule ID: mol8225
SMILES: CC1=Nc2c(nc(O)n(C)c2=O)N(CCCO)C1C
InChI: InChI=1S/C12H18N4O3/c1-7-8(2)16(5-4-6-17)10-9(13-7)11(18)15(3)12(19)14-10/h8,17H,4-6H2,1-3H3,(H,14,19)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.41 | IUPAC digitized pKa | 2 » 1 |
| 10.12 | IUPAC digitized pKa | -1 » -2 |