Molecule ID: mol20648
SMILES: CC(=O)Nc1ccc2nc(N(C)CCO)ccc2c1
InChI: InChI=1S/C14H17N3O2/c1-10(19)15-12-4-5-13-11(9-12)3-6-14(16-13)17(2)7-8-18/h3-6,9,18H,7-8H2,1-2H3,(H,15,19)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.91 | OCHEM | 1 » 0 |
| 8.91 | Baltruschat ChEMBL | 1 » 0 |