Molecule ID: mol17213
SMILES: COc1cccc2nc3c(C(=O)NCCN(C)C)cccc3cc12
InChI: InChI=1S/C19H21N3O2/c1-22(2)11-10-20-19(23)14-7-4-6-13-12-15-16(21-18(13)14)8-5-9-17(15)24-3/h4-9,12H,10-11H2,1-3H3,(H,20,23)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.82 | QSARToolbox | 2 » 1 |
| 3.82 | OCHEM | 2 » 1 |
| 3.82 | Baltruschat ChEMBL | 2 » 1 |