Molecule ID: mol7637
SMILES: CC(=O)NCc1nnn(Cc2ccccc2)c1N
InChI: InChI=1S/C12H15N5O/c1-9(18)14-7-11-12(13)17(16-15-11)8-10-5-3-2-4-6-10/h2-6H,7-8,13H2,1H3,(H,14,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.00 | AttenGpKa training set | 2 » 1 |