Molecule ID: mol10143
SMILES: ON=Cc1cccc(C=NO)n1
InChI: InChI=1S/C7H7N3O2/c11-8-4-6-2-1-3-7(10-6)5-9-12/h1-5,11-12H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.34 | IUPAC digitized pKa | 1 » 0 |
| 9.70 | IUPAC digitized pKa | 0 » -1 |
| 9.85 | IUPAC digitized pKa | 0 » -1 |
| 9.92 | IUPAC digitized pKa | 0 » -1 |
| 10.00 | IUPAC digitized pKa | 0 » -1 |
| 10.04 | IUPAC digitized pKa | 0 » -1 |
| 10.08 | IUPAC digitized pKa | 0 » -1 |
| 10.45 | IUPAC digitized pKa | 0 » -1 |
| 10.51 | IUPAC digitized pKa | 0 » -1 |
| 10.63 | IUPAC digitized pKa | 0 » -1 |
| 10.68 | IUPAC digitized pKa | 0 » -1 |
| 10.70 | IUPAC digitized pKa | 0 » -1 |
| 10.88 | IUPAC digitized pKa | 0 » -1 |