Molecule ID: mol129
SMILES: CCN(C)C(=O)Oc1cccc([C@H](C)N(C)C)c1
InChI: InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.80 | OCHEM | 1 » 0 |
| 8.99 | OCHEM | 1 » 0 |
| 8.99 | OCHEM | 1 » 0 |
| 8.99 | Baltruschat ChEMBL | 1 » 0 |
| 8.99 | Settimo | 1 » 0 |
| 8.99 | Settimo | 1 » 0 |