Molecule ID: mol4144
SMILES: Cc1c(N)nc(N)nc1O
InChI: InChI=1S/C5H8N4O/c1-2-3(6)8-5(7)9-4(2)10/h1H3,(H5,6,7,8,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.58 | QSARToolbox | 1 » 0 |
| 3.58 | IUPAC digitized pKa | 1 » 0 |
| 3.61 | AttenGpKa training set | 1 » 0 |
| 3.64 | IUPAC digitized pKa | 1 » 0 |
| 11.07 | AttenGpKa training set | 0 » -1 |
| 11.10 | IUPAC digitized pKa | 0 » -1 |
| 11.10 | QSARToolbox | 0 » -1 |
| 11.28 | IUPAC digitized pKa | 0 » -1 |