Molecule ID: mol5310
SMILES: Nc1ccc(O)c(C(=O)O)c1
InChI: InChI=1S/C7H7NO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,8H2,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.74 | OCHEM | 1 » 0 |
| 2.74 | OCHEM | 1 » 0 |
| 3.00 | AttenGpKa training set | 1 » 0 |
| 5.84 | OCHEM | 0 » -1 |
| 5.84 | OCHEM | 0 » -1 |
| 6.00 | AttenGpKa training set | 0 » -1 |
| 13.90 | AttenGpKa training set | -1 » -2 |