Molecule ID: mol1271
SMILES: O=Cc1ncccc1O
InChI: InChI=1S/C6H5NO2/c8-4-5-6(9)2-1-3-7-5/h1-4,9H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.40 | IUPAC digitized pKa | 1 » 0 |
| 3.40 | Datawarrior | 1 » 0 |
| 3.40 | OCHEM | 1 » 0 |
| 3.40 | OCHEM | 1 » 0 |
| 3.40 | OCHEM | 1 » 0 |
| 3.40 | QSARToolbox | 1 » 0 |
| 3.40 | QSARToolbox | 1 » 0 |
| 3.40 | OCHEM | 1 » 0 |
| 6.95 | OCHEM | 0 » -1 |
| 6.95 | QSARToolbox | 0 » -1 |
| 6.95 | QSARToolbox | 0 » -1 |
| 6.95 | IUPAC digitized pKa | 0 » -1 |
| 6.95 | Datawarrior | 0 » -1 |
| 6.95 | Hunt | 0 » -1 |