Molecule ID: mol32357
SMILES: CN1CCC23c4c5ccc(O)c4OC2C(O)C=CC3C1C5
InChI: InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.96 | OCHEM | 1 » 0 |
| 8.18 | OCHEM | 1 » 0 |
| 8.35 | OCHEM | 1 » 0 |
| 9.26 | OCHEM | 0 » -1 |
| 9.85 | OCHEM | 0 » -1 |