Molecule ID: mol10211
SMILES: NCc1ccc(O)c(O)c1
InChI: InChI=1S/C7H9NO2/c8-4-5-1-2-6(9)7(10)3-5/h1-3,9-10H,4,8H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.60 | IUPAC digitized pKa | 1 » 0 |
| 8.60 | Datawarrior | 1 » 0 |
| 8.60 | AttenGpKa training set | 1 » 0 |
| 8.60 | QSARToolbox | 1 » 0 |
| 8.60 | OCHEM | 1 » 0 |