Molecule ID: mol5299
SMILES: NCCCCC(=O)O
InChI: InChI=1S/C5H11NO2/c6-4-2-1-3-5(7)8/h1-4,6H2,(H,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.69 | QSARToolbox | 1 » 0 |
| 1.77 | QSARToolbox | 1 » 0 |
| 4.02 | IUPAC digitized pKa | 1 » 0 |
| 4.15 | IUPAC digitized pKa | 1 » 0 |
| 4.20 | QSARToolbox | 1 » 0 |
| 4.20 | QSARToolbox | 1 » 0 |
| 4.20 | OCHEM | 1 » 0 |
| 4.20 | OCHEM | 1 » 0 |
| 4.24 | OCHEM | 1 » 0 |
| 4.25 | IUPAC digitized pKa | 1 » 0 |
| 4.26 | IUPAC digitized pKa | 1 » 0 |
| 4.26 | Datawarrior | 1 » 0 |
| 4.26 | OCHEM | 1 » 0 |
| 4.27 | QSARToolbox | 1 » 0 |
| 4.27 | QSARToolbox | 1 » 0 |
| 4.27 | QSARToolbox | 1 » 0 |
| 4.27 | IUPAC digitized pKa | 1 » 0 |
| 4.28 | AttenGpKa training set | 1 » 0 |
| 9.76 | OCHEM | 0 » -1 |
| 9.76 | OCHEM | 0 » -1 |
| 10.40 | IUPAC digitized pKa | 0 » -1 |
| 10.66 | IUPAC digitized pKa | 0 » -1 |
| 10.71 | IUPAC digitized pKa | 0 » -1 |
| 10.75 | IUPAC digitized pKa | 0 » -1 |
| 10.76 | OCHEM | 0 » -1 |
| 10.77 | IUPAC digitized pKa | 0 » -1 |
| 10.77 | AttenGpKa training set | 0 » -1 |
| 10.77 | QSARToolbox | 0 » -1 |
| 10.78 | Datawarrior | 0 » -1 |
| 10.78 | OCHEM | 0 » -1 |
| 10.91 | IUPAC digitized pKa | 0 » -1 |
| 10.94 | QSARToolbox | 0 » -1 |
| 10.94 | IUPAC digitized pKa | 0 » -1 |