Molecule ID: mol10949
SMILES: O=c1[nH]nc(-c2ccccc2)c(=O)[nH]1
InChI: InChI=1S/C9H7N3O2/c13-8-7(11-12-9(14)10-8)6-4-2-1-3-5-6/h1-5H,(H2,10,12,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.31 | IUPAC digitized pKa | 0 » -1 |
| 7.31 | AttenGpKa training set | 0 » -1 |