Molecule ID: mol11560
SMILES: O=C(O)c1cc2ccccc2cc1OP(=O)(O)O
InChI: InChI=1S/C11H9O6P/c12-11(13)9-5-7-3-1-2-4-8(7)6-10(9)17-18(14,15)16/h1-6H,(H,12,13)(H2,14,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.46 | IUPAC digitized pKa | 0 » -1 |
| 1.46 | QSARToolbox | 0 » -1 |
| 3.70 | IUPAC digitized pKa | -1 » -2 |
| 6.34 | IUPAC digitized pKa | -2 » -3 |