Molecule ID: mol16453
SMILES: Cc1cc(OCc2cc(C)nn2-c2ccccc2)[nH]n1
InChI: InChI=1S/C15H16N4O/c1-11-9-15(17-16-11)20-10-14-8-12(2)18-19(14)13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.40 | Baltruschat ChEMBL | 1 » 0 |
| 12.50 | Baltruschat ChEMBL | 0 » -1 |