Molecule ID: mol5191
SMILES: CN1C2CCC1CC(OC(=O)C(O)c1ccccc1)C2
InChI: InChI=1S/C16H21NO3/c1-17-12-7-8-13(17)10-14(9-12)20-16(19)15(18)11-5-3-2-4-6-11/h2-6,12-15,18H,7-10H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.61 | OCHEM | 1 » 0 |
| 9.70 | IUPAC digitized pKa | 1 » 0 |