Molecule ID: mol17222
SMILES: CN(C)CCNC(=O)c1cccc2nc3ccccc3cc12
InChI: InChI=1S/C18H19N3O/c1-21(2)11-10-19-18(22)14-7-5-9-17-15(14)12-13-6-3-4-8-16(13)20-17/h3-9,12H,10-11H2,1-2H3,(H,19,22)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.24 | QSARToolbox | 2 » 1 |
| 4.24 | OCHEM | 2 » 1 |
| 4.24 | Baltruschat ChEMBL | 2 » 1 |