Molecule ID: mol29065

SMILES: COC(=O)c1ccccc1OP(=O)(O)OP(=O)(O)Oc1ccccc1C(=O)OC

InChI: InChI=1S/C16H16O11P2/c1-23-15(17)11-7-3-5-9-13(11)25-28(19,20)27-29(21,22)26-14-10-6-4-8-12(14)16(18)24-2/h3-10H,1-2H3,(H,19,20)(H,21,22)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
1.05 AttenGpKa training set 0 » -1
1.05 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization