Molecule ID: mol2
SMILES: NC(Cc1ccc(O)cc1)C(=O)O
InChI: InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.11 | QSARToolbox | 1 » 0 |
| 2.20 | Settimo | 1 » 0 |
| 2.20 | QSARToolbox | 1 » 0 |
| 2.20 | QSARToolbox | 1 » 0 |
| 2.20 | QSARToolbox | 1 » 0 |
| 2.24 | QSARToolbox | 1 » 0 |
| 8.94 | QSARToolbox | 0 » -1 |
| 8.94 | QSARToolbox | 0 » -1 |
| 8.97 | QSARToolbox | 0 » -1 |
| 9.23 | QSARToolbox | 0 » -1 |
| 9.23 | QSARToolbox | 0 » -1 |
| 9.99 | QSARToolbox | -1 » -2 |
| 10.10 | OCHEM | -1 » -2 |
| 10.10 | OCHEM | -1 » -2 |
| 10.10 | OCHEM | -1 » -2 |
| 10.10 | Baltruschat ChEMBL | -1 » -2 |
| 10.10 | QSARToolbox | -1 » -2 |
| 10.10 | QSARToolbox | -1 » -2 |
| 10.43 | QSARToolbox | -1 » -2 |
| 10.43 | QSARToolbox | -1 » -2 |