Molecule ID: mol9496
SMILES: O=P(O)(O)Oc1cccnc1
InChI: InChI=1S/C5H6NO4P/c7-11(8,9)10-5-2-1-3-6-4-5/h1-4H,(H2,7,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.85 | IUPAC digitized pKa | 0 » -1 |
| 3.86 | IUPAC digitized pKa | 0 » -1 |
| 5.62 | IUPAC digitized pKa | -1 » -2 |
| 5.64 | IUPAC digitized pKa | -1 » -2 |