Molecule ID: mol7256
SMILES: Nc1ncnc(C(=O)O)c1N
InChI: InChI=1S/C5H6N4O2/c6-2-3(5(10)11)8-1-9-4(2)7/h1H,6H2,(H,10,11)(H2,7,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.35 | IUPAC digitized pKa | 1 » 0 |
| 1.35 | QSARToolbox | 1 » 0 |
| 1.49 | IUPAC digitized pKa | 1 » 0 |
| 1.49 | QSARToolbox | 1 » 0 |
| 7.19 | IUPAC digitized pKa | 0 » -1 |
| 7.19 | QSARToolbox | 0 » -1 |
| 7.20 | OCHEM | 0 » -1 |
| 7.79 | QSARToolbox | 0 » -1 |
| 7.79 | IUPAC digitized pKa | 0 » -1 |