Molecule ID: mol5474
SMILES: C[C@@H](O)[C@H](N)C(=O)O
InChI: InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.05 | QSARToolbox | 1 » 0 |
| 2.06 | IUPAC digitized pKa | 1 » 0 |
| 2.07 | IUPAC digitized pKa | 1 » 0 |
| 2.09 | IUPAC digitized pKa | 1 » 0 |
| 2.10 | IUPAC digitized pKa | 1 » 0 |
| 2.13 | IUPAC digitized pKa | 1 » 0 |
| 2.14 | IUPAC digitized pKa | 1 » 0 |
| 2.17 | IUPAC digitized pKa | 1 » 0 |
| 2.17 | QSARToolbox | 1 » 0 |
| 2.20 | IUPAC digitized pKa | 1 » 0 |
| 2.21 | IUPAC digitized pKa | 1 » 0 |
| 2.21 | QSARToolbox | 1 » 0 |
| 2.29 | IUPAC digitized pKa | 1 » 0 |
| 2.63 | AttenGpKa training set | 1 » 0 |
| 8.55 | IUPAC digitized pKa | 0 » -1 |
| 8.55 | QSARToolbox | 0 » -1 |
| 8.81 | IUPAC digitized pKa | 0 » -1 |
| 9.00 | IUPAC digitized pKa | 0 » -1 |
| 9.00 | QSARToolbox | 0 » -1 |
| 9.00 | QSARToolbox | 0 » -1 |
| 9.01 | IUPAC digitized pKa | 0 » -1 |
| 9.10 | IUPAC digitized pKa | 0 » -1 |
| 9.10 | OCHEM | 0 » -1 |
| 9.12 | IUPAC digitized pKa | 0 » -1 |
| 9.16 | IUPAC digitized pKa | 0 » -1 |
| 9.20 | QSARToolbox | 0 » -1 |
| 9.26 | IUPAC digitized pKa | 0 » -1 |
| 9.42 | IUPAC digitized pKa | 0 » -1 |
| 9.52 | QSARToolbox | 0 » -1 |
| 9.75 | IUPAC digitized pKa | 0 » -1 |
| 10.43 | AttenGpKa training set | 0 » -1 |