Molecule ID: mol7255
SMILES: Nc1ncc(C(=O)O)c(N)n1
InChI: InChI=1S/C5H6N4O2/c6-3-2(4(10)11)1-8-5(7)9-3/h1H,(H,10,11)(H4,6,7,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.94 | IUPAC digitized pKa | 1 » 0 |
| 2.94 | AttenGpKa training set | 1 » 0 |
| 2.94 | QSARToolbox | 1 » 0 |
| 6.79 | QSARToolbox | 0 » -1 |
| 6.79 | IUPAC digitized pKa | 0 » -1 |
| 6.79 | AttenGpKa training set | 0 » -1 |
| 6.80 | OCHEM | 0 » -1 |