Molecule ID: mol9158
SMILES: Cn1c(=O)cn[nH]c1=O
InChI: InChI=1S/C4H5N3O2/c1-7-3(8)2-5-6-4(7)9/h2H,1H3,(H,6,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.25 | IUPAC digitized pKa | 0 » -1 |
| 9.52 | IUPAC digitized pKa | 0 » -1 |
| 9.52 | AttenGpKa training set | 0 » -1 |