Molecule ID: mol21525
SMILES: CC(C)(C)C(=O)c1ccc2n1CCC2C(=O)O
InChI: InChI=1S/C13H17NO3/c1-13(2,3)11(15)10-5-4-9-8(12(16)17)6-7-14(9)10/h4-5,8H,6-7H2,1-3H3,(H,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.57 | Baltruschat ChEMBL | 0 » -1 |