Molecule ID: mol17216
SMILES: CN(C)CCNC(=O)c1ccc2cc3ccccc3nc2c1
InChI: InChI=1S/C18H19N3O/c1-21(2)10-9-19-18(22)15-8-7-14-11-13-5-3-4-6-16(13)20-17(14)12-15/h3-8,11-12H,9-10H2,1-2H3,(H,19,22)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.94 | OCHEM | 2 » 1 |
| 3.94 | Baltruschat ChEMBL | 2 » 1 |
| 3.94 | QSARToolbox | 2 » 1 |