Molecule ID: mol17218
SMILES: COc1ccc2nc3c(C(O)=NCCN(C)C)cccc3cc2c1
InChI: InChI=1S/C19H21N3O2/c1-22(2)10-9-20-19(23)16-6-4-5-13-11-14-12-15(24-3)7-8-17(14)21-18(13)16/h4-8,11-12H,9-10H2,1-3H3,(H,20,23)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.54 | QSARToolbox | 2 » 1 |
| 3.54 | OCHEM | 2 » 1 |
| 3.54 | Baltruschat ChEMBL | 2 » 1 |