Molecule ID: mol26269

SMILES: Cc1nc2c(N)nc(O)[n+](C)c2nc1C

InChI: InChI=1S/C9H11N5O/c1-4-5(2)12-8-6(11-4)7(10)13-9(15)14(8)3/h1-3H3,(H2,10,13,15)/p+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization