Molecule ID: mol4187

SMILES: CCNc1ccnc(O)n1

InChI: InChI=1S/C6H9N3O/c1-2-7-5-3-4-8-6(10)9-5/h3-4H,2H2,1H3,(H2,7,8,9,10)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
4.56 IUPAC digitized pKa 1 » 0
4.58 OCHEM 1 » 0
4.58 Datawarrior 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization