Molecule ID: mol9430
SMILES: NCC(=O)CCC(=O)O
InChI: InChI=1S/C5H9NO3/c6-3-4(7)1-2-5(8)9/h1-3,6H2,(H,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.00 | QSARToolbox | 1 » 0 |
| 4.05 | IUPAC digitized pKa | 1 » 0 |
| 4.05 | QSARToolbox | 1 » 0 |
| 4.05 | QSARToolbox | 1 » 0 |
| 8.20 | QSARToolbox | 0 » -1 |
| 8.90 | IUPAC digitized pKa | 0 » -1 |