Molecule ID: mol16817
SMILES: Cc1cccc(NC(=O)c2nc(C)cc3cc[nH]c23)n1
InChI: InChI=1S/C15H14N4O/c1-9-4-3-5-12(17-9)19-15(20)14-13-11(6-7-16-13)8-10(2)18-14/h3-8,16H,1-2H3,(H,17,19,20)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.50 | Baltruschat ChEMBL | 1 » 0 |