Molecule ID: mol17502
SMILES: CCc1cccc2c3c([nH]c12)C(CC)(CC(=O)O)OCC3
InChI: InChI=1S/C17H21NO3/c1-3-11-6-5-7-12-13-8-9-21-17(4-2,10-14(19)20)16(13)18-15(11)12/h5-7,18H,3-4,8-10H2,1-2H3,(H,19,20)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.70 | OCHEM | 0 » -1 |
| 4.70 | Baltruschat ChEMBL | 0 » -1 |
| 4.70 | Baltruschat ChEMBL | 0 » -1 |