Molecule ID: mol16452
SMILES: Cc1cc(OCc2cc(C)nn2-c2ccccc2)n(CC(=O)O)n1
InChI: InChI=1S/C17H18N4O3/c1-12-8-15(21(19-12)14-6-4-3-5-7-14)11-24-16-9-13(2)18-20(16)10-17(22)23/h3-9H,10-11H2,1-2H3,(H,22,23)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.40 | Baltruschat ChEMBL | 1 » 0 |
| 7.30 | Baltruschat ChEMBL | 0 » -1 |