Molecule ID: mol5366
SMILES: CCCCNCC(=O)O
InChI: InChI=1S/C6H13NO2/c1-2-3-4-7-5-6(8)9/h7H,2-5H2,1H3,(H,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.25 | QSARToolbox | 1 » 0 |
| 2.29 | QSARToolbox | 1 » 0 |
| 2.29 | QSARToolbox | 1 » 0 |
| 2.29 | IUPAC digitized pKa | 1 » 0 |
| 2.29 | AttenGpKa training set | 1 » 0 |
| 2.32 | OCHEM | 1 » 0 |
| 2.32 | Datawarrior | 1 » 0 |
| 2.35 | QSARToolbox | 1 » 0 |
| 2.35 | QSARToolbox | 1 » 0 |
| 2.35 | IUPAC digitized pKa | 1 » 0 |
| 2.35 | OCHEM | 1 » 0 |
| 2.35 | OCHEM | 1 » 0 |
| 2.35 | OCHEM | 1 » 0 |
| 10.07 | QSARToolbox | 0 » -1 |
| 10.07 | IUPAC digitized pKa | 0 » -1 |
| 10.07 | AttenGpKa training set | 0 » -1 |
| 10.16 | Datawarrior | 0 » -1 |
| 10.16 | OCHEM | 0 » -1 |
| 10.25 | IUPAC digitized pKa | 0 » -1 |
| 10.25 | OCHEM | 0 » -1 |
| 10.25 | OCHEM | 0 » -1 |
| 10.25 | OCHEM | 0 » -1 |