Molecule ID: mol29809

SMILES: O=C(O)c1cc(/N=N/c2ccc(O)c(C(=O)O)c2)ccc1O

InChI: InChI=1S/C14H10N2O6/c17-11-3-1-7(5-9(11)13(19)20)15-16-8-2-4-12(18)10(6-8)14(21)22/h1-6,17-18H,(H,19,20)(H,21,22)/b16-15+

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.79 AttenGpKa training set 0 » -1
10.54 AttenGpKa training set -2 » -3
10.86 AttenGpKa training set -2 » -3
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization