Molecule ID: mol33859

SMILES: CCn1cc(C(=O)O)c(=O)c2ccc(CO)nc21

InChI: InChI=1S/C12H12N2O4/c1-2-14-5-9(12(17)18)10(16)8-4-3-7(6-15)13-11(8)14/h3-5,15H,2,6H2,1H3,(H,17,18)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization