Molecule ID: mol25103

SMILES: Cc1cc(O)c(O)c(C(N)=O)[n+]1C

InChI: InChI=1S/C8H10N2O3/c1-4-3-5(11)7(12)6(8(9)13)10(4)2/h3H,1-2H3,(H3,9,12,13)/p+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization