Molecule ID: mol2203
SMILES: CCOc1ccc(NC(C)=O)cc1
InChI: InChI=1S/C10H13NO2/c1-3-13-10-6-4-9(5-7-10)11-8(2)12/h4-7H,3H2,1-2H3,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.20 | IUPAC digitized pKa | 1 » 0 |
| 2.20 | Baltruschat ChEMBL | 1 » 0 |
| 11.80 | OCHEM | 0 » -1 |
| 11.80 | Hunt | 0 » -1 |