Molecule ID: mol20090
SMILES: O/N=C/c1nc(-c2ccccc2)no1
InChI: InChI=1S/C9H7N3O2/c13-10-6-8-11-9(12-14-8)7-4-2-1-3-5-7/h1-6,13H/b10-6+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.94 | Baltruschat ChEMBL | 0 » -1 |
| 7.94 | Baltruschat ChEMBL | 0 » -1 |
| 8.12 | Baltruschat ChEMBL | 0 » -1 |