Molecule ID: mol18317
SMILES: Nc1c2ccccc2nc2c(C(=O)NCCc3ccccn3)cccc12
InChI: InChI=1S/C21H18N4O/c22-19-15-7-1-2-10-18(15)25-20-16(19)8-5-9-17(20)21(26)24-13-11-14-6-3-4-12-23-14/h1-10,12H,11,13H2,(H2,22,25)(H,24,26)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.90 | OCHEM | 2 » 1 |
| 5.90 | Baltruschat ChEMBL | 2 » 1 |