Molecule ID: mol26221

SMILES: Cn1cnc(=N)c2ncc(N)nc21

InChI: InChI=1S/C7H8N6/c1-13-3-11-6(9)5-7(13)12-4(8)2-10-5/h2-3,9H,1H3,(H2,8,12)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization