Molecule ID: mol12431

SMILES: Cn1cc(O)nc1N

InChI: InChI=1S/C4H7N3O/c1-7-2-3(8)6-4(7)5/h2,8H,1H3,(H2,5,6)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
4.90 Datawarrior 1 » 0
4.90 OCHEM 1 » 0
13.40 Datawarrior 0 » -1
13.40 OCHEM 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization