Molecule ID: mol30263

SMILES: CN1C(=O)Oc2cc(C=O)ccc21

InChI: InChI=1S/C9H7NO3/c1-10-7-3-2-6(5-11)4-8(7)13-9(10)12/h2-5H,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization