Molecule ID: mol37060

SMILES: COc1cc(Cc2cnc(N)nc2N)cc(O)c1O

InChI: InChI=1S/C12H14N4O3/c1-19-9-4-6(3-8(17)10(9)18)2-7-5-15-12(14)16-11(7)13/h3-5,17-18H,2H2,1H3,(H4,13,14,15,16)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
7.23 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization