Molecule ID: mol9767
SMILES: CCCc1n[nH]c(=O)[nH]c1=O
InChI: InChI=1S/C6H9N3O2/c1-2-3-4-5(10)7-6(11)9-8-4/h2-3H2,1H3,(H2,7,9,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.50 | IUPAC digitized pKa | 0 » -1 |
| 7.50 | AttenGpKa training set | 0 » -1 |