Molecule ID: mol17463
SMILES: CC(C)(C)NCC(O)COc1cccc2c1CCC(=O)N2
InChI: InChI=1S/C16H24N2O3/c1-16(2,3)17-9-11(19)10-21-14-6-4-5-13-12(14)7-8-15(20)18-13/h4-6,11,17,19H,7-10H2,1-3H3,(H,18,20)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.20 | Baltruschat ChEMBL | 1 » 0 |
| 9.74 | AttenGpKa training set | 1 » 0 |