Molecule ID: mol3360
SMILES: OCCNc1ccccc1
InChI: InChI=1S/C8H11NO/c10-7-6-9-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.06 | IUPAC digitized pKa | 1 » 0 |
| 4.06 | IUPAC digitized pKa | 1 » 0 |
| 4.06 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 4.09 | Datawarrior | 1 » 0 |
| 4.09 | QSARToolbox | 1 » 0 |
| 4.09 | OCHEM | 1 » 0 |
| 4.14 | OCHEM | 1 » 0 |
| 4.14 | AttenGpKa training set | 1 » 0 |
| 4.22 | IUPAC digitized pKa | 1 » 0 |