Molecule ID: mol23
SMILES: NCC(=O)NCC(=O)NCC(=O)O
InChI: InChI=1S/C6H11N3O4/c7-1-4(10)8-2-5(11)9-3-6(12)13/h1-3,7H2,(H,8,10)(H,9,11)(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.18 | IUPAC digitized pKa | 1 » 0 |
| 3.18 | IUPAC digitized pKa | 1 » 0 |
| 3.19 | IUPAC digitized pKa | 1 » 0 |
| 3.19 | QSARToolbox | 1 » 0 |
| 3.21 | IUPAC digitized pKa | 1 » 0 |
| 3.22 | QSARToolbox | 1 » 0 |
| 3.22 | QSARToolbox | 1 » 0 |
| 3.23 | IUPAC digitized pKa | 1 » 0 |
| 3.23 | OCHEM | 1 » 0 |
| 3.23 | Settimo | 1 » 0 |
| 3.23 | QSARToolbox | 1 » 0 |
| 3.24 | QSARToolbox | 1 » 0 |
| 3.26 | IUPAC digitized pKa | 1 » 0 |
| 3.26 | QSARToolbox | 1 » 0 |
| 3.26 | QSARToolbox | 1 » 0 |
| 3.26 | AttenGpKa training set | 1 » 0 |
| 3.27 | IUPAC digitized pKa | 1 » 0 |
| 3.28 | IUPAC digitized pKa | 1 » 0 |
| 3.29 | QSARToolbox | 1 » 0 |
| 3.30 | QSARToolbox | 1 » 0 |
| 3.30 | IUPAC digitized pKa | 1 » 0 |
| 3.30 | IUPAC digitized pKa | 1 » 0 |
| 3.71 | IUPAC digitized pKa | 1 » 0 |
| 7.50 | QSARToolbox | 0 » -1 |
| 7.51 | IUPAC digitized pKa | 0 » -1 |
| 7.74 | QSARToolbox | 0 » -1 |
| 7.74 | IUPAC digitized pKa | 0 » -1 |
| 7.76 | QSARToolbox | 0 » -1 |
| 7.79 | IUPAC digitized pKa | 0 » -1 |
| 7.87 | IUPAC digitized pKa | 0 » -1 |
| 7.90 | IUPAC digitized pKa | 0 » -1 |
| 7.91 | QSARToolbox | 0 » -1 |
| 7.91 | AttenGpKa training set | 0 » -1 |
| 7.94 | OCHEM | 0 » -1 |
| 7.94 | Settimo | 0 » -1 |
| 7.96 | IUPAC digitized pKa | 0 » -1 |
| 7.96 | IUPAC digitized pKa | 0 » -1 |
| 8.00 | IUPAC digitized pKa | 0 » -1 |
| 8.01 | IUPAC digitized pKa | 0 » -1 |
| 8.02 | IUPAC digitized pKa | 0 » -1 |
| 8.06 | IUPAC digitized pKa | 0 » -1 |
| 8.07 | IUPAC digitized pKa | 0 » -1 |
| 8.07 | QSARToolbox | 0 » -1 |
| 8.09 | IUPAC digitized pKa | 0 » -1 |
| 8.09 | QSARToolbox | 0 » -1 |
| 8.11 | QSARToolbox | 0 » -1 |
| 8.11 | IUPAC digitized pKa | 0 » -1 |
| 8.12 | IUPAC digitized pKa | 0 » -1 |
| 8.14 | QSARToolbox | 0 » -1 |
| 8.20 | QSARToolbox | 0 » -1 |
| 8.23 | IUPAC digitized pKa | 0 » -1 |
| 8.55 | IUPAC digitized pKa | 0 » -1 |
| 8.57 | IUPAC digitized pKa | 0 » -1 |