Molecule ID: mol697
SMILES: O=C1c2ccccc2C(=O)N1O
InChI: InChI=1S/C8H5NO3/c10-7-5-3-1-2-4-6(5)8(11)9(7)12/h1-4,12H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.99 | QSARToolbox | 0 » -1 |
| 6.10 | QSARToolbox | 0 » -1 |
| 6.10 | QSARToolbox | 0 » -1 |
| 6.13 | Datawarrior | 0 » -1 |
| 6.13 | OCHEM | 0 » -1 |
| 6.21 | AttenGpKa training set | 0 » -1 |
| 6.32 | QSARToolbox | 0 » -1 |
| 6.50 | OCHEM | 0 » -1 |
| 6.50 | Hunt | 0 » -1 |
| 7.00 | IUPAC digitized pKa | 0 » -1 |
| 7.00 | QSARToolbox | 0 » -1 |