Molecule ID: mol29685

SMILES: Cn1cc([C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O

InChI: InChI=1S/C11H16N2O5/c1-13-3-7(10(17)12-11(13)18)6-2-5(4-14)8(15)9(6)16/h3,5-6,8-9,14-16H,2,4H2,1H3,(H,12,17,18)/t5-,6+,8-,9+/m1/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization