Molecule ID: mol11298
SMILES: O=C(O)c1ccnn1-c1ccccc1
InChI: InChI=1S/C10H8N2O2/c13-10(14)9-6-7-11-12(9)8-4-2-1-3-5-8/h1-7H,(H,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.70 | IUPAC digitized pKa | 0 » -1 |
| 2.73 | AttenGpKa training set | 0 » -1 |