Molecule ID: mol8224
SMILES: CC1=Nc2c(nc(O)n(C)c2=O)N(CCO)C1C
InChI: InChI=1S/C11H16N4O3/c1-6-7(2)15(4-5-16)9-8(12-6)10(17)14(3)11(18)13-9/h7,16H,4-5H2,1-3H3,(H,13,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.36 | IUPAC digitized pKa | 1 » 0 |
| 9.93 | IUPAC digitized pKa | -2 » -3 |