Molecule ID: mol11557
SMILES: O=C(O)c1c(OP(=O)(O)O)ccc2ccccc12
InChI: InChI=1S/C11H9O6P/c12-11(13)10-8-4-2-1-3-7(8)5-6-9(10)17-18(14,15)16/h1-6H,(H,12,13)(H2,14,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.00 | IUPAC digitized pKa | 0 » -1 |
| 1.00 | QSARToolbox | 0 » -1 |
| 3.18 | IUPAC digitized pKa | -1 » -2 |
| 6.12 | IUPAC digitized pKa | -2 » -3 |