Molecule ID: mol9912
SMILES: O=P(O)(O)OCc1ccncc1
InChI: InChI=1S/C6H8NO4P/c8-12(9,10)11-5-6-1-3-7-4-2-6/h1-4H,5H2,(H2,8,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.73 | IUPAC digitized pKa | 0 » -1 |
| 5.14 | IUPAC digitized pKa | 0 » -1 |
| 6.25 | IUPAC digitized pKa | -1 » -2 |
| 6.42 | IUPAC digitized pKa | -1 » -2 |