Molecule ID: mol15

SMILES: Cc1cc(=O)oc2cc(C3OC(C(=O)O)C(O)C(O)C3O)ccc12

InChI: InChI=1S/C16H16O8/c1-6-4-10(17)23-9-5-7(2-3-8(6)9)14-12(19)11(18)13(20)15(24-14)16(21)22/h2-5,11-15,18-20H,1H3,(H,21,22)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.82 AvLiLuMoVe 0 » -1
2.82 Settimo 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization