Molecule ID: mol1835
SMILES: Oc1cnc2ncccc2n1
InChI: InChI=1S/C7H5N3O/c11-6-4-9-7-5(10-6)2-1-3-8-7/h1-4H,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.70 | IUPAC digitized pKa | 1 » 0 |
| 2.70 | IUPAC digitized pKa | 1 » 0 |
| 2.70 | QSARToolbox | 1 » 0 |
| 3.93 | QSARToolbox | 1 » 0 |
| 7.88 | IUPAC digitized pKa | 0 » -1 |
| 7.88 | Hunt | 0 » -1 |
| 7.88 | QSARToolbox | 0 » -1 |
| 7.91 | QSARToolbox | 0 » -1 |
| 7.91 | IUPAC digitized pKa | 0 » -1 |