Molecule ID: mol20539
SMILES: CC(C)CCOc1cc(N)ccc1C(=O)O
InChI: InChI=1S/C12H17NO3/c1-8(2)5-6-16-11-7-9(13)3-4-10(11)12(14)15/h3-4,7-8H,5-6,13H2,1-2H3,(H,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.17 | OCHEM | 0 » -1 |
| 5.17 | Baltruschat ChEMBL | 0 » -1 |
| 5.17 | AttenGpKa training set | 0 » -1 |