Molecule ID: mol17034
SMILES: Cc1cc(=O)c(O)c(CN2CCOCC2)n1C
InChI: InChI=1S/C12H18N2O3/c1-9-7-11(15)12(16)10(13(9)2)8-14-3-5-17-6-4-14/h7,16H,3-6,8H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.38 | Baltruschat ChEMBL | 2 » 1 |
| 2.43 | Baltruschat ChEMBL | 2 » 1 |
| 4.82 | Baltruschat ChEMBL | 1 » 0 |
| 4.89 | Baltruschat ChEMBL | 1 » 0 |
| 9.72 | Baltruschat ChEMBL | 0 » -1 |
| 10.07 | Baltruschat ChEMBL | 0 » -1 |