Molecule ID: mol3525
SMILES: Nc1cc(O)c(O)c2ccccc12
InChI: InChI=1S/C10H9NO2/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5,12-13H,11H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.41 | QSARToolbox | 1 » 0 |
| 4.41 | IUPAC digitized pKa | 1 » 0 |
| 4.41 | OCHEM | 1 » 0 |
| 9.32 | QSARToolbox | 0 » -1 |
| 9.32 | IUPAC digitized pKa | 0 » -1 |
| 9.32 | OCHEM | 0 » -1 |
| 9.32 | OCHEM | 0 » -1 |