Molecule ID: mol25135
SMILES: Cc1cc(=O)c(O)c(C(=O)Nc2ccccn2)n1C
InChI: InChI=1S/C13H13N3O3/c1-8-7-9(17)12(18)11(16(8)2)13(19)15-10-5-3-4-6-14-10/h3-7,18H,1-2H3,(H,14,15,19)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.90 | AttenGpKa training set | 1 » 0 |
| 7.94 | AttenGpKa training set | 0 » -1 |