Molecule ID: mol37763

SMILES: O=C1O[C@H]([C@@H](O)CO)C(ON=Nc2ccc(Cl)cc2)=C1O

InChI: InChI=1S/C12H11ClN2O6/c13-6-1-3-7(4-2-6)14-15-21-11-9(18)12(19)20-10(11)8(17)5-16/h1-4,8,10,16-18H,5H2/t8-,10+/m0/s1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
10.10 QSARToolbox -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization