Molecule ID: mol26255

SMILES: Cc1nc2c(N)nc[n+](C)c2nc1O

InChI: InChI=1S/C8H9N5O/c1-4-8(14)12-7-5(11-4)6(9)10-3-13(7)2/h3H,1-2H3,(H2,9,12,14)/p+1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
1.97 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization