Molecule ID: mol8478
SMILES: NC1(C(=O)O)CCCC1
InChI: InChI=1S/C6H11NO2/c7-6(5(8)9)3-1-2-4-6/h1-4,7H2,(H,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.40 | IUPAC digitized pKa | 1 » 0 |
| 2.54 | IUPAC digitized pKa | 1 » 0 |
| 2.62 | AttenGpKa training set | 1 » 0 |
| 10.01 | AttenGpKa training set | 0 » -1 |
| 10.06 | Datawarrior | 0 » -1 |
| 10.06 | OCHEM | 0 » -1 |
| 10.06 | QSARToolbox | 0 » -1 |
| 10.06 | QSARToolbox | 0 » -1 |
| 10.31 | IUPAC digitized pKa | 0 » -1 |
| 10.33 | IUPAC digitized pKa | 0 » -1 |