Molecule ID: mol22912

SMILES: NC(=O)c1cc(C(=O)O)ccc1C(=O)O

InChI: InChI=1S/C9H7NO5/c10-7(11)6-3-4(8(12)13)1-2-5(6)9(14)15/h1-3H,(H2,10,11)(H,12,13)(H,14,15)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization