Molecule ID: mol11049
SMILES: CCOc1cc(N)ccc1C(=O)O
InChI: InChI=1S/C9H11NO3/c1-2-13-8-5-6(10)3-4-7(8)9(11)12/h3-5H,2,10H2,1H3,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.09 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 5.09 | OCHEM | 0 » -1 |
| 5.09 | OCHEM | 0 » -1 |
| 5.09 | OCHEM | 0 » -1 |
| 5.09 | OCHEM | 0 » -1 |
| 5.09 | Baltruschat ChEMBL | 0 » -1 |
| 5.09 | AttenGpKa training set | 0 » -1 |