Molecule ID: mol14344
SMILES: NC(=O)C(CCC(=O)O)c1ccccc1
InChI: InChI=1S/C11H13NO3/c12-11(15)9(6-7-10(13)14)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,12,15)(H,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.64 | QSARToolbox | 0 » -1 |
| 4.64 | OCHEM | 0 » -1 |
| 4.64 | Datawarrior | 0 » -1 |
| 4.64 | AttenGpKa training set | 0 » -1 |