Molecule ID: mol5296
SMILES: Nc1cc(C(=O)O)cc2ccccc12
InChI: InChI=1S/C11H9NO2/c12-10-6-8(11(13)14)5-7-3-1-2-4-9(7)10/h1-6H,12H2,(H,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.89 | IUPAC digitized pKa | 1 » 0 |
| 2.89 | AttenGpKa training set | 1 » 0 |
| 4.46 | IUPAC digitized pKa | 0 » -1 |
| 4.46 | OCHEM | 0 » -1 |
| 4.46 | OCHEM | 0 » -1 |
| 4.46 | OCHEM | 0 » -1 |
| 4.46 | OCHEM | 0 » -1 |
| 4.46 | AttenGpKa training set | 0 » -1 |