Molecule ID: mol9360
SMILES: O=C(NO)c1ncccn1
InChI: InChI=1S/C5H5N3O2/c9-5(8-10)4-6-2-1-3-7-4/h1-3,10H,(H,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.88 | IUPAC digitized pKa | 0 » -1 |
| 7.88 | AttenGpKa training set | 0 » -1 |
| 7.88 | QSARToolbox | 0 » -1 |
| 7.88 | QSARToolbox | 0 » -1 |
| 7.88 | QSARToolbox | 0 » -1 |