Molecule ID: mol17214
SMILES: Cc1c2ccccc2nc2c(C(O)=NCCN(C)C)cccc12
InChI: InChI=1S/C19H21N3O/c1-13-14-7-4-5-10-17(14)21-18-15(13)8-6-9-16(18)19(23)20-11-12-22(2)3/h4-10H,11-12H2,1-3H3,(H,20,23)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.34 | OCHEM | 2 » 1 |
| 4.34 | Baltruschat ChEMBL | 2 » 1 |
| 4.34 | Baltruschat ChEMBL | 2 » 1 |
| 4.34 | QSARToolbox | 2 » 1 |