Molecule ID: mol29558

SMILES: CC1=N/C(=C/c2cccnc2)C(=O)O1

InChI: InChI=1S/C10H8N2O2/c1-7-12-9(10(13)14-7)5-8-3-2-4-11-6-8/h2-6H,1H3/b9-5+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization