Molecule ID: mol9647
SMILES: O=C(O)c1ccncc1O
InChI: InChI=1S/C6H5NO3/c8-5-3-7-2-1-4(5)6(9)10/h1-3,8H,(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.10 | IUPAC digitized pKa | 1 » 0 |
| 4.83 | IUPAC digitized pKa | 0 » -1 |
| 11.30 | IUPAC digitized pKa | -1 » -2 |