Molecule ID: mol32489
SMILES: CC(=CC=CC(C)C(=O)O)C1CNC(C(=O)O)C1CC(=O)O
InChI: InChI=1S/C15H21NO6/c1-8(4-3-5-9(2)14(19)20)11-7-16-13(15(21)22)10(11)6-12(17)18/h3-5,9-11,13,16H,6-7H2,1-2H3,(H,17,18)(H,19,20)(H,21,22)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.10 | OCHEM | 1 » 0 |
| 9.82 | OCHEM | -2 » -3 |