Molecule ID: mol3527
SMILES: Nc1cc(O)cc2ccccc12
InChI: InChI=1S/C10H9NO/c11-10-6-8(12)5-7-3-1-2-4-9(7)10/h1-6,12H,11H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.30 | QSARToolbox | 1 » 0 |
| 3.30 | IUPAC digitized pKa | 1 » 0 |
| 3.30 | OCHEM | 1 » 0 |
| 3.30 | AttenGpKa training set | 1 » 0 |
| 3.45 | IUPAC digitized pKa | 1 » 0 |
| 3.45 | OCHEM | 1 » 0 |
| 3.45 | QSARToolbox | 1 » 0 |
| 9.84 | IUPAC digitized pKa | 0 » -1 |
| 9.84 | OCHEM | 0 » -1 |
| 9.84 | QSARToolbox | 0 » -1 |