Molecule ID: mol7142

SMILES: CNc1nc(SC)nc(NC)c1[N+](=O)[O-]

InChI: InChI=1S/C7H11N5O2S/c1-8-5-4(12(13)14)6(9-2)11-7(10-5)15-3/h1-3H3,(H2,8,9,10,11)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization