Molecule ID: mol16807
SMILES: Cc1nnn(O)c1CC(N)C(=O)O
InChI: InChI=1S/C6H10N4O3/c1-3-5(10(13)9-8-3)2-4(7)6(11)12/h4,13H,2,7H2,1H3,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.48 | OCHEM | 2 » 1 |
| 1.48 | Baltruschat ChEMBL | 2 » 1 |
| 1.48 | QSARToolbox | 2 » 1 |
| 5.07 | OCHEM | 0 » -1 |
| 5.07 | Baltruschat ChEMBL | 0 » -1 |
| 9.24 | OCHEM | -1 » -2 |
| 9.24 | Baltruschat ChEMBL | -1 » -2 |