Molecule ID: mol17220
SMILES: COc1ccc2cc3cccc(C(O)=NCCN(C)C)c3nc2c1
InChI: InChI=1S/C19H21N3O2/c1-22(2)10-9-20-19(23)16-6-4-5-14-11-13-7-8-15(24-3)12-17(13)21-18(14)16/h4-8,11-12H,9-10H2,1-3H3,(H,20,23)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.59 | OCHEM | 2 » 1 |
| 4.59 | Baltruschat ChEMBL | 2 » 1 |
| 4.59 | QSARToolbox | 2 » 1 |