Molecule ID: mol8296

SMILES: CCOc1ncc2[nH]cnc2n1

InChI: InChI=1S/C7H8N4O/c1-2-12-7-8-3-5-6(11-7)10-4-9-5/h3-4H,2H2,1H3,(H,8,9,10,11)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.46 IUPAC digitized pKa 1 » 0
9.47 IUPAC digitized pKa 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization