Molecule ID: mol31765
SMILES: NCC(=O)Nc1ccc(C(=O)O)cc1
InChI: InChI=1S/C9H10N2O3/c10-5-8(12)11-7-3-1-6(2-4-7)9(13)14/h1-4H,5,10H2,(H,11,12)(H,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.23 | QSARToolbox | 1 » 0 |
| 3.23 | QSARToolbox | 1 » 0 |
| 4.20 | OCHEM | 1 » 0 |
| 4.20 | OCHEM | 1 » 0 |
| 4.20 | OCHEM | 1 » 0 |