Molecule ID: mol20047
SMILES: CCn1ccc(=O)c(O)c1C(C)O
InChI: InChI=1S/C9H13NO3/c1-3-10-5-4-7(12)9(13)8(10)6(2)11/h4-6,11,13H,3H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.03 | Baltruschat ChEMBL | 1 » 0 |
| 3.11 | Baltruschat ChEMBL | 1 » 0 |
| 8.74 | Baltruschat ChEMBL | 0 » -1 |
| 8.77 | Baltruschat ChEMBL | 0 » -1 |