Molecule ID: mol11583
SMILES: CC(=O)C(C(C)=O)C1NC(=O)Nc2nccnc21
InChI: InChI=1S/C11H12N4O3/c1-5(16)7(6(2)17)8-9-10(13-4-3-12-9)15-11(18)14-8/h3-4,7-8H,1-2H3,(H2,13,14,15,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.02 | IUPAC digitized pKa | 0 » -1 |
| 8.02 | AttenGpKa training set | 0 » -1 |