Molecule ID: mol8091

SMILES: CSc1nc(N)c2ncc(O)nc2n1

InChI: InChI=1S/C7H7N5OS/c1-14-7-11-5(8)4-6(12-7)10-3(13)2-9-4/h2H,1H3,(H3,8,10,11,12,13)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization