Molecule ID: mol17028
SMILES: CC(O)c1c(O)c(=O)ccn1CCN1CCCCC1
InChI: InChI=1S/C14H22N2O3/c1-11(17)13-14(19)12(18)5-8-16(13)10-9-15-6-3-2-4-7-15/h5,8,11,17,19H,2-4,6-7,9-10H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.14 | Baltruschat ChEMBL | 2 » 1 |
| 2.17 | Baltruschat ChEMBL | 2 » 1 |
| 7.35 | Baltruschat ChEMBL | 1 » 0 |
| 7.37 | Baltruschat ChEMBL | 1 » 0 |
| 8.70 | Baltruschat ChEMBL | 0 » -1 |
| 8.73 | Baltruschat ChEMBL | 0 » -1 |