Molecule ID: mol8229

SMILES: Cn1ccnc2c(=O)n(C)c(=N)nc1-2

InChI: InChI=1S/C8H9N5O/c1-12-4-3-10-5-6(12)11-8(9)13(2)7(5)14/h3-4,9H,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization