Molecule ID: mol6092
SMILES: NCCc1ccccc1O
InChI: InChI=1S/C8H11NO/c9-6-5-7-3-1-2-4-8(7)10/h1-4,10H,5-6,9H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.19 | QSARToolbox | 1 » 0 |
| 9.19 | OCHEM | 1 » 0 |
| 9.19 | IUPAC digitized pKa | 1 » 0 |
| 9.19 | Datawarrior | 1 » 0 |
| 9.36 | AttenGpKa training set | 1 » 0 |
| 9.52 | IUPAC digitized pKa | 1 » 0 |
| 10.75 | IUPAC digitized pKa | 0 » -1 |
| 10.75 | AttenGpKa training set | 0 » -1 |