Molecule ID: mol25832
SMILES: CC(C)Nc1nc(O)nc(Nc2ccccc2)n1
InChI: InChI=1S/C12H15N5O/c1-8(2)13-10-15-11(17-12(18)16-10)14-9-6-4-3-5-7-9/h3-8H,1-2H3,(H3,13,14,15,16,17,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.02 | AttenGpKa training set | 1 » 0 |
| 9.49 | AttenGpKa training set | 0 » -1 |