Molecule ID: mol6093
SMILES: NCCc1cccc(O)c1
InChI: InChI=1S/C8H11NO/c9-5-4-7-2-1-3-8(10)6-7/h1-3,6,10H,4-5,9H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.27 | IUPAC digitized pKa | 1 » 0 |
| 9.27 | Datawarrior | 1 » 0 |
| 9.27 | QSARToolbox | 1 » 0 |
| 9.27 | OCHEM | 1 » 0 |
| 9.52 | AttenGpKa training set | 1 » 0 |
| 9.58 | IUPAC digitized pKa | 1 » 0 |
| 10.50 | IUPAC digitized pKa | 0 » -1 |
| 10.54 | AttenGpKa training set | 0 » -1 |