Molecule ID: mol7634
SMILES: CC(C)Nc1nc(O)nc(NC(C)C)n1
InChI: InChI=1S/C9H17N5O/c1-5(2)10-7-12-8(11-6(3)4)14-9(15)13-7/h5-6H,1-4H3,(H3,10,11,12,13,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.01 | AttenGpKa training set | 1 » 0 |
| 5.20 | IUPAC digitized pKa | 1 » 0 |
| 10.50 | AttenGpKa training set | 0 » -1 |