Molecule ID: mol6580
SMILES: COC(=O)c1cc(C(=O)OC)c(C(=O)OC)nc1C(=O)OC
InChI: InChI=1S/C13H13NO8/c1-19-10(15)6-5-7(11(16)20-2)9(13(18)22-4)14-8(6)12(17)21-3/h5H,1-4H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.99 | IUPAC digitized pKa | 1 » 0 |
| 1.99 | QSARToolbox | 1 » 0 |