Molecule ID: mol29743
SMILES: Cc1ccc(N(CC2=NCCN2)c2cccc(O)c2)cc1
InChI: InChI=1S/C17H19N3O/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15/h2-8,11,21H,9-10,12H2,1H3,(H,18,19)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.70 | AttenGpKa training set | 1 » 0 |
| 9.55 | QSARToolbox | 1 » 0 |