Molecule ID: mol19430
SMILES: COCCNC(=O)c1cn2c(C)c(C)nc2c2c1CCC(c1ccccc1)C2
InChI: InChI=1S/C23H27N3O2/c1-15-16(2)26-14-21(23(27)24-11-12-28-3)19-10-9-18(13-20(19)22(26)25-15)17-7-5-4-6-8-17/h4-8,14,18H,9-13H2,1-3H3,(H,24,27)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.22 | OCHEM | 1 » 0 |
| 7.22 | Baltruschat ChEMBL | 1 » 0 |