Molecule ID: mol26254

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

InChI: InChI=1S/C9H10N4O/c1-5-6(2)12-8-7(11-5)9(14)10-4-13(8)3/h4H,1-3H3/p+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization