Molecule ID: mol29549

SMILES: CNC(=O)c1[nH]c(C)cc(=O)c1O

InChI: InChI=1S/C8H10N2O3/c1-4-3-5(11)7(12)6(10-4)8(13)9-2/h3,12H,1-2H3,(H,9,13)(H,10,11)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization