Molecule ID: mol10497
SMILES: O=c1[nH]c2ccccc2[nH]c1=O
InChI: InChI=1S/C8H6N2O2/c11-7-8(12)10-6-4-2-1-3-5(6)9-7/h1-4H,(H,9,11)(H,10,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.52 | IUPAC digitized pKa | 0 » -1 |
| 9.52 | AttenGpKa training set | 0 » -1 |
| 9.52 | QSARToolbox | 0 » -1 |
| 9.52 | QSARToolbox | 0 » -1 |
| 9.67 | Datawarrior | 0 » -1 |
| 9.67 | OCHEM | 0 » -1 |
| 9.75 | QSARToolbox | 0 » -1 |
| 9.75 | QSARToolbox | 0 » -1 |
| 12.30 | Datawarrior | -1 » -2 |
| 12.30 | QSARToolbox | -1 » -2 |