Molecule ID: mol1351

SMILES: CCOc1ccnc(O)n1

InChI: InChI=1S/C6H8N2O2/c1-2-10-5-3-4-7-6(9)8-5/h3-4H,2H2,1H3,(H,7,8,9)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization