Molecule ID: mol13304
SMILES: NC(=O)C(CC(=O)O)c1ccccc1
InChI: InChI=1S/C10H11NO3/c11-10(14)8(6-9(12)13)7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,11,14)(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.04 | QSARToolbox | 0 » -1 |
| 4.23 | Datawarrior | 0 » -1 |
| 4.23 | OCHEM | 0 » -1 |
| 4.23 | AttenGpKa training set | 0 » -1 |
| 4.42 | QSARToolbox | 0 » -1 |