Molecule ID: mol16449
SMILES: Cc1c2c3cc(NC(=O)CNC(=O)CN)ccc3nc-2n(C)c2ccccc12
InChI: InChI=1S/C21H21N5O2/c1-12-14-5-3-4-6-17(14)26(2)21-20(12)15-9-13(7-8-16(15)25-21)24-19(28)11-23-18(27)10-22/h3-9H,10-11,22H2,1-2H3,(H,23,27)(H,24,28)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.50 | Baltruschat ChEMBL | 2 » 1 |