Molecule ID: mol33678

SMILES: Cc1nc(N)nc(N)c1COc1ccccc1

InChI: InChI=1S/C12H14N4O/c1-8-10(11(13)16-12(14)15-8)7-17-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H4,13,14,15,16)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization