Molecule ID: mol32535
SMILES: CN1CCC23c4c5ccc(O)c4OC2C(O)C=CC3C1C5O
InChI: InChI=1S/C17H19NO4/c1-18-7-6-17-9-3-5-11(20)16(17)22-15-10(19)4-2-8(12(15)17)14(21)13(9)18/h2-5,9,11,13-14,16,19-21H,6-7H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.13 | OCHEM | 1 » 0 |
| 9.06 | OCHEM | 0 » -1 |