Molecule ID: mol36768

SMILES: O=P(O)(O)C(O)c1cccc(C(O)P(=O)(O)O)c1

InChI: InChI=1S/C8H12O8P2/c9-7(17(11,12)13)5-2-1-3-6(4-5)8(10)18(14,15)16/h1-4,7-10H,(H2,11,12,13)(H2,14,15,16)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
6.78 QSARToolbox -2 » -3
7.23 QSARToolbox -2 » -3
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization