Molecule ID: mol10806
SMILES: O=P(O)(O)OCCCc1ccccn1
InChI: InChI=1S/C8H12NO4P/c10-14(11,12)13-7-3-5-8-4-1-2-6-9-8/h1-2,4,6H,3,5,7H2,(H2,10,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.09 | IUPAC digitized pKa | 0 » -1 |
| 5.60 | IUPAC digitized pKa | 0 » -1 |
| 6.75 | IUPAC digitized pKa | -1 » -2 |
| 6.90 | IUPAC digitized pKa | -1 » -2 |