Molecule ID: mol16810
SMILES: Cc1ncn(O)c1CC(N)C(=O)O
InChI: InChI=1S/C7H11N3O3/c1-4-6(10(13)3-9-4)2-5(8)7(11)12/h3,5,13H,2,8H2,1H3,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.81 | QSARToolbox | 1 » 0 |
| 2.81 | OCHEM | 1 » 0 |
| 2.81 | Baltruschat ChEMBL | 1 » 0 |
| 8.82 | OCHEM | -1 » -2 |
| 8.82 | Baltruschat ChEMBL | -1 » -2 |
| 10.20 | OCHEM | -1 » -2 |
| 10.20 | Baltruschat ChEMBL | -1 » -2 |