Molecule ID: mol5295
SMILES: Nc1cc(C(=O)O)c2ccccc2c1
InChI: InChI=1S/C11H9NO2/c12-8-5-7-3-1-2-4-9(7)10(6-8)11(13)14/h1-6H,12H2,(H,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.61 | IUPAC digitized pKa | 1 » 0 |
| 2.61 | AttenGpKa training set | 1 » 0 |
| 4.39 | IUPAC digitized pKa | 0 » -1 |
| 4.39 | OCHEM | 0 » -1 |
| 4.39 | OCHEM | 0 » -1 |
| 4.39 | OCHEM | 0 » -1 |
| 4.39 | OCHEM | 0 » -1 |
| 4.39 | AttenGpKa training set | 0 » -1 |