Molecule ID: mol7101
SMILES: CC(=O)Nc1c(C)ncnc1N
InChI: InChI=1S/C7H10N4O/c1-4-6(11-5(2)12)7(8)10-3-9-4/h3H,1-2H3,(H,11,12)(H2,8,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.52 | IUPAC digitized pKa | 1 » 0 |
| 4.57 | AttenGpKa training set | 1 » 0 |