Molecule ID: mol4736

SMILES: COc1nc(N)nc2nc(C)c(C)nc12

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization