Molecule ID: mol17550
SMILES: CN(C)CCNC(=O)c1cccc2c(N)c3cccc(C#N)c3nc12
InChI: InChI=1S/C19H19N5O/c1-24(2)10-9-22-19(25)15-8-4-7-14-16(21)13-6-3-5-12(11-20)17(13)23-18(14)15/h3-8H,9-10H2,1-2H3,(H2,21,23)(H,22,25)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.00 | Baltruschat ChEMBL | 2 » 1 |