Molecule ID: mol670
SMILES: NCc1ccco1
InChI: InChI=1S/C5H7NO/c6-4-5-2-1-3-7-5/h1-3H,4,6H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.89 | IUPAC digitized pKa | 1 » 0 |
| 8.89 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 8.89 | OCHEM | 1 » 0 |
| 8.89 | OCHEM | 1 » 0 |
| 8.89 | Hunt | 1 » 0 |
| 8.89 | OCHEM | 1 » 0 |
| 8.89 | OCHEM | 1 » 0 |
| 8.89 | AttenGpKa training set | 1 » 0 |
| 8.89 | QSARToolbox | 1 » 0 |