Molecule ID: mol13958
SMILES: NC(=O)Cc1ccc(C(=O)O)cc1
InChI: InChI=1S/C9H9NO3/c10-8(11)5-6-1-3-7(4-2-6)9(12)13/h1-4H,5H2,(H2,10,11)(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.06 | OCHEM | 0 » -1 |
| 4.06 | QSARToolbox | 0 » -1 |
| 4.06 | QSARToolbox | 0 » -1 |
| 4.06 | Datawarrior | 0 » -1 |
| 4.06 | AttenGpKa training set | 0 » -1 |