Molecule ID: mol4
SMILES: NC(Cc1ccc(O)c(O)c1)C(=O)O
InChI: InChI=1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.21 | OCHEM | 1 » 0 |
| 2.21 | Settimo | 1 » 0 |
| 2.32 | QSARToolbox | 1 » 0 |
| 2.32 | QSARToolbox | 1 » 0 |
| 2.32 | QSARToolbox | 1 » 0 |
| 2.32 | QSARToolbox | 1 » 0 |
| 2.32 | OCHEM | 1 » 0 |
| 8.68 | QSARToolbox | 0 » -1 |
| 8.68 | QSARToolbox | 0 » -1 |
| 8.68 | QSARToolbox | 0 » -1 |
| 8.70 | OCHEM | 0 » -1 |
| 8.77 | QSARToolbox | 0 » -1 |
| 9.03 | QSARToolbox | -1 » -2 |
| 9.88 | QSARToolbox | -1 » -2 |
| 9.88 | QSARToolbox | -1 » -2 |
| 9.88 | QSARToolbox | -1 » -2 |
| 9.90 | OCHEM | -1 » -2 |
| 9.90 | OCHEM | -1 » -2 |
| 11.64 | QSARToolbox | -2 » -3 |
| 11.64 | QSARToolbox | -2 » -3 |
| 11.68 | QSARToolbox | -2 » -3 |