Molecule ID: mol5278
SMILES: NCCCCCC(=O)O
InChI: InChI=1S/C6H13NO2/c7-5-3-1-2-4-6(8)9/h1-5,7H2,(H,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.75 | QSARToolbox | 1 » 0 |
| 4.37 | QSARToolbox | 1 » 0 |
| 4.37 | QSARToolbox | 1 » 0 |
| 4.37 | QSARToolbox | 1 » 0 |
| 4.37 | QSARToolbox | 1 » 0 |
| 4.37 | OCHEM | 1 » 0 |
| 4.37 | IUPAC digitized pKa | 1 » 0 |
| 4.37 | Datawarrior | 1 » 0 |
| 4.37 | OCHEM | 1 » 0 |
| 4.37 | OCHEM | 1 » 0 |
| 4.37 | IUPAC digitized pKa | 1 » 0 |
| 4.38 | IUPAC digitized pKa | 1 » 0 |
| 4.39 | IUPAC digitized pKa | 1 » 0 |
| 4.40 | AttenGpKa training set | 1 » 0 |
| 4.41 | IUPAC digitized pKa | 1 » 0 |
| 4.42 | IUPAC digitized pKa | 1 » 0 |
| 4.43 | QSARToolbox | 1 » 0 |
| 4.43 | QSARToolbox | 1 » 0 |
| 4.43 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 4.43 | OCHEM | 1 » 0 |
| 10.04 | IUPAC digitized pKa | 0 » -1 |
| 10.41 | IUPAC digitized pKa | 0 » -1 |
| 10.50 | IUPAC digitized pKa | 0 » -1 |
| 10.62 | IUPAC digitized pKa | 0 » -1 |
| 10.64 | QSARToolbox | 0 » -1 |
| 10.72 | QSARToolbox | 0 » -1 |
| 10.76 | Datawarrior | 0 » -1 |
| 10.76 | OCHEM | 0 » -1 |
| 10.77 | IUPAC digitized pKa | 0 » -1 |
| 10.78 | AttenGpKa training set | 0 » -1 |
| 10.78 | OCHEM | 0 » -1 |
| 10.80 | OCHEM | 0 » -1 |
| 10.80 | OCHEM | 0 » -1 |
| 10.80 | QSARToolbox | 0 » -1 |
| 10.80 | QSARToolbox | 0 » -1 |
| 10.80 | IUPAC digitized pKa | 0 » -1 |
| 10.81 | IUPAC digitized pKa | 0 » -1 |
| 10.85 | IUPAC digitized pKa | 0 » -1 |
| 10.96 | IUPAC digitized pKa | 0 » -1 |
| 11.04 | IUPAC digitized pKa | 0 » -1 |
| 11.24 | IUPAC digitized pKa | 0 » -1 |
| 11.67 | IUPAC digitized pKa | 0 » -1 |