Molecule ID: mol10205
SMILES: NCc1cccc(O)c1
InChI: InChI=1S/C7H9NO/c8-5-6-2-1-3-7(9)4-6/h1-4,9H,5,8H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.06 | IUPAC digitized pKa | 1 » 0 |
| 9.06 | Datawarrior | 1 » 0 |
| 9.06 | AttenGpKa training set | 1 » 0 |
| 9.06 | OCHEM | 1 » 0 |
| 9.06 | QSARToolbox | 1 » 0 |