Molecule ID: mol21234
SMILES: Cc1cc(C#N)cc(C)c1Nc1ccnc(Nc2ccc(C#N)cc2)n1
InChI: InChI=1S/C20H16N6/c1-13-9-16(12-22)10-14(2)19(13)25-18-7-8-23-20(26-18)24-17-5-3-15(11-21)4-6-17/h3-10H,1-2H3,(H2,23,24,25,26)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.10 | Baltruschat ChEMBL | 1 » 0 |