Molecule ID: mol16806
SMILES: NC(Cc1ccnn1O)C(=O)O
InChI: InChI=1S/C6H9N3O3/c7-5(6(10)11)3-4-1-2-8-9(4)12/h1-2,5,12H,3,7H2,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.78 | QSARToolbox | 1 » 0 |
| 1.78 | OCHEM | 1 » 0 |
| 1.78 | Baltruschat ChEMBL | 1 » 0 |
| 5.78 | OCHEM | 0 » -1 |
| 5.78 | Baltruschat ChEMBL | 0 » -1 |
| 9.48 | OCHEM | -1 » -2 |
| 9.48 | Baltruschat ChEMBL | -1 » -2 |