Molecule ID: mol3649
SMILES: Cc1cccc(C(=O)O)n1
InChI: InChI=1S/C7H7NO2/c1-5-3-2-4-6(8-5)7(9)10/h2-4H,1H3,(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.90 | QSARToolbox | 1 » 0 |
| 0.90 | QSARToolbox | 1 » 0 |
| 0.90 | OCHEM | 1 » 0 |
| 0.90 | IUPAC digitized pKa | 1 » 0 |
| 0.90 | Datawarrior | 1 » 0 |
| 5.77 | QSARToolbox | 0 » -1 |
| 5.77 | QSARToolbox | 0 » -1 |
| 5.77 | IUPAC digitized pKa | 0 » -1 |
| 5.80 | Datawarrior | 0 » -1 |
| 5.80 | OCHEM | 0 » -1 |
| 5.80 | OCHEM | 0 » -1 |
| 5.83 | QSARToolbox | 0 » -1 |
| 5.83 | IUPAC digitized pKa | 0 » -1 |
| 5.83 | OCHEM | 0 » -1 |
| 5.83 | OCHEM | 0 » -1 |
| 5.95 | IUPAC digitized pKa | 0 » -1 |