Molecule ID: mol14705

SMILES: COc1cc(/C=N/c2ncc3nc[nH]c3n2)ccc1O

InChI: InChI=1S/C13H11N5O2/c1-20-11-4-8(2-3-10(11)19)5-14-13-15-6-9-12(18-13)17-7-16-9/h2-7,19H,1H3,(H,15,16,17,18)/b14-5+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization