Molecule ID: mol10679
SMILES: NCCc1cccc(O)c1O
InChI: InChI=1S/C8H11NO2/c9-5-4-6-2-1-3-7(10)8(6)11/h1-3,10-11H,4-5,9H2
| 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 |