Molecule ID: mol8108
SMILES: CC1=Nc2c(nc(O)n(C)c2=O)N(Cc2ccccc2)C1C
InChI: InChI=1S/C16H18N4O2/c1-10-11(2)20(9-12-7-5-4-6-8-12)14-13(17-10)15(21)19(3)16(22)18-14/h4-8,11H,9H2,1-3H3,(H,18,22)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.10 | IUPAC digitized pKa | 2 » 1 |
| 9.37 | IUPAC digitized pKa | -1 » -2 |