Molecule ID: mol9911
SMILES: O=P(O)(O)OCc1ccccn1
InChI: InChI=1S/C6H8NO4P/c8-12(9,10)11-5-6-3-1-2-4-7-6/h1-4H,5H2,(H2,8,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.80 | IUPAC digitized pKa | 1 » 0 |
| 4.15 | IUPAC digitized pKa | 0 » -1 |
| 4.42 | IUPAC digitized pKa | 0 » -1 |
| 4.42 | IUPAC digitized pKa | 0 » -1 |
| 6.29 | IUPAC digitized pKa | -1 » -2 |
| 6.30 | IUPAC digitized pKa | -1 » -2 |
| 6.54 | IUPAC digitized pKa | -1 » -2 |