Molecule ID: mol6501
SMILES: COc1ncccc1O
InChI: InChI=1S/C6H7NO2/c1-9-6-5(8)3-2-4-7-6/h2-4,8H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.10 | QSARToolbox | 1 » 0 |
| 2.10 | IUPAC digitized pKa | 1 » 0 |
| 2.10 | OCHEM | 1 » 0 |
| 8.65 | QSARToolbox | 0 » -1 |
| 8.65 | IUPAC digitized pKa | 0 » -1 |
| 8.65 | OCHEM | 0 » -1 |