Molecule ID: mol10377
SMILES: NC(c1ccccc1)(P(=O)(O)O)P(=O)(O)O
InChI: InChI=1S/C7H11NO6P2/c8-7(15(9,10)11,16(12,13)14)6-4-2-1-3-5-6/h1-5H,8H2,(H2,9,10,11)(H2,12,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.60 | IUPAC digitized pKa | 0 » -1 |
| 5.29 | IUPAC digitized pKa | -1 » -2 |
| 8.17 | IUPAC digitized pKa | -2 » -3 |
| 10.29 | IUPAC digitized pKa | -3 » -4 |