Molecule ID: mol21816
SMILES: COC(=O)C1C(OC(=O)c2ccccc2)CC2CCC1N2C
InChI: InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.61 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 8.63 | OCHEM | 1 » 0 |