Molecule ID: mol3526
SMILES: Nc1cc(O)c2ccccc2c1O
InChI: InChI=1S/C10H9NO2/c11-8-5-9(12)6-3-1-2-4-7(6)10(8)13/h1-5,12-13H,11H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.04 | IUPAC digitized pKa | 1 » 0 |
| 4.04 | OCHEM | 1 » 0 |
| 4.40 | QSARToolbox | 1 » 0 |
| 9.57 | QSARToolbox | 0 » -1 |
| 9.57 | IUPAC digitized pKa | 0 » -1 |
| 9.57 | OCHEM | 0 » -1 |
| 11.27 | IUPAC digitized pKa | -1 » -2 |
| 11.27 | OCHEM | -1 » -2 |
| 11.27 | QSARToolbox | -1 » -2 |