Molecule ID: mol3363
SMILES: CNc1ccc(O)cc1
InChI: InChI=1S/C7H9NO/c1-8-6-2-4-7(9)5-3-6/h2-5,8-9H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.90 | IUPAC digitized pKa | 1 » 0 |
| 5.90 | OCHEM | 1 » 0 |
| 5.90 | QSARToolbox | 1 » 0 |
| 6.00 | Datawarrior | 1 » 0 |
| 6.00 | OCHEM | 1 » 0 |
| 8.00 | QSARToolbox | 1 » 0 |