Molecule ID: mol7455
SMILES: CNc1ncnc(NC)c1NC=O
InChI: InChI=1S/C7H11N5O/c1-8-6-5(12-4-13)7(9-2)11-3-10-6/h3-4H,1-2H3,(H,12,13)(H2,8,9,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.95 | IUPAC digitized pKa | 1 » 0 |
| 5.00 | AttenGpKa training set | 1 » 0 |