Molecule ID: mol19427
SMILES: COCc1cn2c(C)c(C)nc2c2c1CCC(c1ccccc1)C2
InChI: InChI=1S/C21H24N2O/c1-14-15(2)23-12-18(13-24-3)19-10-9-17(11-20(19)21(23)22-14)16-7-5-4-6-8-16/h4-8,12,17H,9-11,13H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.79 | OCHEM | 1 » 0 |
| 7.79 | Baltruschat ChEMBL | 1 » 0 |