Molecule ID: mol16448
SMILES: Cc1c2c3cc(NC(=O)[C@@H]4CCCN4)ccc3nc-2n(C)c2ccccc12
InChI: InChI=1S/C22H22N4O/c1-13-15-6-3-4-8-19(15)26(2)21-20(13)16-12-14(9-10-17(16)25-21)24-22(27)18-7-5-11-23-18/h3-4,6,8-10,12,18,23H,5,7,11H2,1-2H3,(H,24,27)/t18-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.20 | Baltruschat ChEMBL | 2 » 1 |