Molecule ID: mol10204
SMILES: NCc1ccccc1O
InChI: InChI=1S/C7H9NO/c8-5-6-3-1-2-4-7(6)9/h1-4,9H,5,8H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.89 | IUPAC digitized pKa | 1 » 0 |
| 8.89 | Datawarrior | 1 » 0 |
| 8.89 | AttenGpKa training set | 1 » 0 |
| 8.89 | OCHEM | 1 » 0 |
| 8.89 | QSARToolbox | 1 » 0 |