Molecule ID: mol10210
SMILES: NCc1cccc(O)c1O
InChI: InChI=1S/C7H9NO2/c8-4-5-2-1-3-6(9)7(5)10/h1-3,9-10H,4,8H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.30 | IUPAC digitized pKa | 1 » 0 |
| 8.30 | Datawarrior | 1 » 0 |
| 8.30 | AttenGpKa training set | 1 » 0 |
| 8.30 | QSARToolbox | 1 » 0 |
| 8.30 | OCHEM | 1 » 0 |