Molecule ID: mol9710

SMILES: S=C1NCc2nccnc2N1

InChI: InChI=1S/C6H6N4S/c11-6-9-3-4-5(10-6)8-2-1-7-4/h1-2H,3H2,(H2,8,9,10,11)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization