Molecule ID: mol10212
SMILES: COc1ccc(O)c(N)c1
InChI: InChI=1S/C7H9NO2/c1-10-5-2-3-7(9)6(8)4-5/h2-4,9H,8H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.70 | QSARToolbox | 1 » 0 |
| 9.94 | QSARToolbox | 0 » -1 |
| 9.94 | IUPAC digitized pKa | 0 » -1 |
| 10.00 | Datawarrior | 0 » -1 |
| 10.00 | OCHEM | 0 » -1 |
| 10.07 | QSARToolbox | 0 » -1 |
| 10.07 | IUPAC digitized pKa | 0 » -1 |
| 10.07 | IUPAC digitized pKa | 0 » -1 |
| 10.07 | OCHEM | 0 » -1 |
| 10.07 | AttenGpKa training set | 0 » -1 |
| 10.20 | IUPAC digitized pKa | 0 » -1 |