Molecule ID: mol17219
SMILES: COc1cccc2cc3cccc(C(O)=NCCN(C)C)c3nc12
InChI: InChI=1S/C19H21N3O2/c1-22(2)11-10-20-19(23)15-8-4-6-13-12-14-7-5-9-16(24-3)18(14)21-17(13)15/h4-9,12H,10-11H2,1-3H3,(H,20,23)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.87 | QSARToolbox | 2 » 1 |
| 3.87 | OCHEM | 2 » 1 |
| 3.87 | Baltruschat ChEMBL | 2 » 1 |