Molecule ID: mol8189
SMILES: CCOC(=O)C1NCc2nccnc2N1
InChI: InChI=1S/C9H12N4O2/c1-2-15-9(14)8-12-5-6-7(13-8)11-4-3-10-6/h3-4,8,12H,2,5H2,1H3,(H,11,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.31 | IUPAC digitized pKa | 1 » 0 |
| 3.31 | AttenGpKa training set | 1 » 0 |