Molecule ID: mol200
SMILES: NCCCC(=O)O
InChI: InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.00 | OCHEM | 1 » 0 |
| 4.00 | Baltruschat ChEMBL | 1 » 0 |
| 4.00 | Baltruschat ChEMBL | 1 » 0 |
| 4.00 | Baltruschat ChEMBL | 1 » 0 |
| 4.00 | QSARToolbox | 1 » 0 |
| 4.00 | QSARToolbox | 1 » 0 |
| 4.01 | IUPAC digitized pKa | 1 » 0 |
| 4.01 | QSARToolbox | 1 » 0 |
| 4.01 | QSARToolbox | 1 » 0 |
| 4.01 | QSARToolbox | 1 » 0 |
| 4.01 | QSARToolbox | 1 » 0 |
| 4.03 | IUPAC digitized pKa | 1 » 0 |
| 4.03 | IUPAC digitized pKa | 1 » 0 |
| 4.03 | IUPAC digitized pKa | 1 » 0 |
| 4.03 | OCHEM | 1 » 0 |
| 4.03 | IUPAC digitized pKa | 1 » 0 |
| 4.03 | OCHEM | 1 » 0 |
| 4.03 | OCHEM | 1 » 0 |
| 4.03 | QSARToolbox | 1 » 0 |
| 4.03 | QSARToolbox | 1 » 0 |
| 4.03 | QSARToolbox | 1 » 0 |
| 4.03 | IUPAC digitized pKa | 1 » 0 |
| 4.04 | IUPAC digitized pKa | 1 » 0 |
| 4.04 | QSARToolbox | 1 » 0 |
| 4.04 | QSARToolbox | 1 » 0 |
| 4.04 | QSARToolbox | 1 » 0 |
| 4.04 | Baltruschat ChEMBL | 1 » 0 |
| 4.05 | IUPAC digitized pKa | 1 » 0 |
| 4.06 | IUPAC digitized pKa | 1 » 0 |
| 4.06 | OCHEM | 1 » 0 |
| 4.06 | Datawarrior | 1 » 0 |
| 4.14 | IUPAC digitized pKa | 1 » 0 |
| 4.23 | AttenGpKa training set | 1 » 0 |
| 4.23 | QSARToolbox | 1 » 0 |
| 4.23 | QSARToolbox | 1 » 0 |
| 4.23 | QSARToolbox | 1 » 0 |
| 9.87 | QSARToolbox | 0 » -1 |
| 9.87 | QSARToolbox | 0 » -1 |
| 9.90 | IUPAC digitized pKa | 0 » -1 |
| 10.00 | IUPAC digitized pKa | 0 » -1 |
| 10.13 | IUPAC digitized pKa | 0 » -1 |
| 10.19 | QSARToolbox | 0 » -1 |
| 10.19 | QSARToolbox | 0 » -1 |
| 10.24 | IUPAC digitized pKa | 0 » -1 |
| 10.27 | IUPAC digitized pKa | 0 » -1 |
| 10.41 | IUPAC digitized pKa | 0 » -1 |
| 10.43 | QSARToolbox | 0 » -1 |
| 10.43 | QSARToolbox | 0 » -1 |
| 10.45 | QSARToolbox | 0 » -1 |
| 10.45 | QSARToolbox | 0 » -1 |
| 10.46 | IUPAC digitized pKa | 0 » -1 |
| 10.48 | IUPAC digitized pKa | 0 » -1 |
| 10.48 | Datawarrior | 0 » -1 |
| 10.48 | OCHEM | 0 » -1 |
| 10.50 | AttenGpKa training set | 0 » -1 |
| 10.55 | IUPAC digitized pKa | 0 » -1 |
| 10.56 | IUPAC digitized pKa | 0 » -1 |
| 10.56 | OCHEM | 0 » -1 |
| 10.56 | OCHEM | 0 » -1 |
| 10.57 | IUPAC digitized pKa | 0 » -1 |
| 10.60 | OCHEM | 0 » -1 |
| 10.60 | OCHEM | 0 » -1 |
| 10.60 | Settimo | 0 » -1 |
| 10.62 | QSARToolbox | 0 » -1 |
| 10.62 | QSARToolbox | 0 » -1 |
| 10.66 | IUPAC digitized pKa | 0 » -1 |
| 10.70 | Baltruschat ChEMBL | 0 » -1 |
| 10.70 | Baltruschat ChEMBL | 0 » -1 |
| 10.71 | IUPAC digitized pKa | 0 » -1 |
| 10.78 | QSARToolbox | 0 » -1 |
| 10.78 | QSARToolbox | 0 » -1 |
| 10.86 | IUPAC digitized pKa | 0 » -1 |
| 11.03 | IUPAC digitized pKa | 0 » -1 |