Molecule ID: mol16809
SMILES: Cc1cnn(O)c1CC(N)C(=O)O
InChI: InChI=1S/C7H11N3O3/c1-4-3-9-10(13)6(4)2-5(8)7(11)12/h3,5,13H,2,8H2,1H3,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.05 | QSARToolbox | 1 » 0 |
| 2.05 | OCHEM | 1 » 0 |
| 2.05 | Baltruschat ChEMBL | 1 » 0 |
| 5.89 | OCHEM | 0 » -1 |
| 5.89 | Baltruschat ChEMBL | 0 » -1 |
| 9.81 | OCHEM | -1 » -2 |
| 9.81 | Baltruschat ChEMBL | -1 » -2 |