Molecule ID: mol21749
SMILES: Nc1ccc(C(=O)NCC(=O)O)cc1
InChI: InChI=1S/C9H10N2O3/c10-7-3-1-6(2-4-7)9(14)11-5-8(12)13/h1-4H,5,10H2,(H,11,14)(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.19 | AttenGpKa training set | 0 » -1 |
| 3.80 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 3.80 | OCHEM | 0 » -1 |
| 3.80 | OCHEM | 0 » -1 |
| 3.80 | OCHEM | 0 » -1 |
| 3.80 | OCHEM | 0 » -1 |
| 3.93 | AttenGpKa training set | 0 » -1 |
| 4.49 | QSARToolbox | 0 » -1 |