Molecule ID: mol12695
SMILES: NC(=O)c1ccccc1C(=O)O
InChI: InChI=1S/C8H7NO3/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H2,9,10)(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.75 | Datawarrior | 0 » -1 |
| 3.75 | OCHEM | 0 » -1 |
| 3.75 | OCHEM | 0 » -1 |
| 3.75 | QSARToolbox | 0 » -1 |
| 3.75 | QSARToolbox | 0 » -1 |
| 3.75 | QSARToolbox | 0 » -1 |