Molecule ID: mol17035
SMILES: Cc1cc(=O)c(O)c(CN2CCCCC2)n1C
InChI: InChI=1S/C13H20N2O2/c1-10-8-12(16)13(17)11(14(10)2)9-15-6-4-3-5-7-15/h8,17H,3-7,9H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.50 | Baltruschat ChEMBL | 2 » 1 |
| 2.73 | Baltruschat ChEMBL | 2 » 1 |
| 6.98 | Baltruschat ChEMBL | 1 » 0 |
| 7.07 | Baltruschat ChEMBL | 1 » 0 |
| 10.28 | Baltruschat ChEMBL | 0 » -1 |
| 10.81 | Baltruschat ChEMBL | 0 » -1 |