Molecule ID: mol17217
SMILES: CN(C)CCN=C(O)c1cccc2cc3ccccc3nc12
InChI: InChI=1S/C18H19N3O/c1-21(2)11-10-19-18(22)15-8-5-7-14-12-13-6-3-4-9-16(13)20-17(14)15/h3-9,12H,10-11H2,1-2H3,(H,19,22)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.54 | QSARToolbox | 2 » 1 |
| 3.54 | OCHEM | 2 » 1 |
| 3.54 | Baltruschat ChEMBL | 2 » 1 |
| 3.54 | Baltruschat ChEMBL | 2 » 1 |
| 4.24 | Baltruschat ChEMBL | 2 » 1 |