Molecule ID: mol11296
SMILES: O=C(O)c1ccn(-c2ccccc2)n1
InChI: InChI=1S/C10H8N2O2/c13-10(14)9-6-7-12(11-9)8-4-2-1-3-5-8/h1-7H,(H,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.60 | IUPAC digitized pKa | 0 » -1 |
| 3.61 | AttenGpKa training set | 0 » -1 |