Molecule ID: mol32349
SMILES: CN1CC(C(=O)O)CC2(O)c3cccc4[nH]cc(c34)CC12
InChI: InChI=1S/C16H18N2O3/c1-18-8-10(15(19)20)6-16(21)11-3-2-4-12-14(11)9(7-17-12)5-13(16)18/h2-4,7,10,13,17,21H,5-6,8H2,1H3,(H,19,20)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.39 | OCHEM | 1 » 0 |
| 9.20 | OCHEM | 0 » -1 |