Molecule ID: mol9721
SMILES: Nc1cc(O)ccc1O
InChI: InChI=1S/C6H7NO2/c7-5-3-4(8)1-2-6(5)9/h1-3,8-9H,7H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.01 | IUPAC digitized pKa | 1 » 0 |
| 8.01 | AttenGpKa training set | 1 » 0 |
| 10.05 | IUPAC digitized pKa | 0 » -1 |
| 10.05 | IUPAC digitized pKa | 0 » -1 |
| 10.05 | Datawarrior | 0 » -1 |
| 10.05 | AttenGpKa training set | 0 » -1 |
| 10.18 | IUPAC digitized pKa | 0 » -1 |
| 10.65 | OCHEM | -1 » -2 |
| 11.25 | IUPAC digitized pKa | -1 » -2 |
| 11.25 | IUPAC digitized pKa | -1 » -2 |
| 11.25 | Datawarrior | -1 » -2 |
| 11.25 | AttenGpKa training set | -1 » -2 |
| 11.30 | IUPAC digitized pKa | -1 » -2 |