Molecule ID: mol8033
SMILES: CC(=O)CC1=Nc2c(O)nc(N)nc2N(c2ccccc2)C1
InChI: InChI=1S/C15H15N5O2/c1-9(21)7-10-8-20(11-5-3-2-4-6-11)13-12(17-10)14(22)19-15(16)18-13/h2-6H,7-8H2,1H3,(H3,16,18,19,22)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -0.97 | IUPAC digitized pKa | 1 » 0 |
| 8.47 | IUPAC digitized pKa | 0 » -1 |