Molecule ID: mol26878

SMILES: C[n+]1cccc(C(=O)CC(N)=O)c1

InChI: InChI=1S/C9H10N2O2/c1-11-4-2-3-7(6-11)8(12)5-9(10)13/h2-4,6H,5H2,1H3,(H-,10,13)/p+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization