Molecule ID: mol17221
SMILES: COc1cc(C(=O)NCCN(C)C)c2nc3ccccc3cc2c1
InChI: InChI=1S/C19H21N3O2/c1-22(2)9-8-20-19(23)16-12-15(24-3)11-14-10-13-6-4-5-7-17(13)21-18(14)16/h4-7,10-12H,8-9H2,1-3H3,(H,20,23)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.34 | QSARToolbox | 2 » 1 |
| 3.34 | OCHEM | 2 » 1 |
| 3.34 | Baltruschat ChEMBL | 2 » 1 |