Molecule ID: mol17041
SMILES: Cc1c(O)c(=O)ccn1CCN(C)C
InChI: InChI=1S/C10H16N2O2/c1-8-10(14)9(13)4-5-12(8)7-6-11(2)3/h4-5,14H,6-7H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.74 | Baltruschat ChEMBL | 2 » 1 |
| 2.86 | Baltruschat ChEMBL | 2 » 1 |
| 7.02 | Baltruschat ChEMBL | 1 » 0 |
| 7.05 | Baltruschat ChEMBL | 1 » 0 |
| 9.58 | Baltruschat ChEMBL | 0 » -1 |
| 9.75 | Baltruschat ChEMBL | 0 » -1 |