Molecule ID: mol17223
SMILES: CN(C)CCNC(=O)c1ccc2nc3ccccc3cc2c1
InChI: InChI=1S/C18H19N3O/c1-21(2)10-9-19-18(22)14-7-8-17-15(12-14)11-13-5-3-4-6-16(13)20-17/h3-8,11-12H,9-10H2,1-2H3,(H,19,22)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.37 | QSARToolbox | 2 » 1 |
| 4.37 | OCHEM | 2 » 1 |
| 4.37 | Baltruschat ChEMBL | 2 » 1 |