Molecule ID: mol17215
SMILES: COc1ccc(C(=O)NCCN(C)C)c2nc3ccccc3cc12
InChI: InChI=1S/C19H21N3O2/c1-22(2)11-10-20-19(23)14-8-9-17(24-3)15-12-13-6-4-5-7-16(13)21-18(14)15/h4-9,12H,10-11H2,1-3H3,(H,20,23)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.81 | QSARToolbox | 2 » 1 |
| 3.81 | OCHEM | 2 » 1 |
| 3.81 | Baltruschat ChEMBL | 2 » 1 |