Molecule ID: mol36456

SMILES: CN1C(=O)/C(=N\NC(N)=S)c2cc(S(=O)(=O)O)ccc21

InChI: InChI=1S/C10H10N4O4S2/c1-14-7-3-2-5(20(16,17)18)4-6(7)8(9(14)15)12-13-10(11)19/h2-4H,1H3,(H3,11,13,19)(H,16,17,18)/b12-8-

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
10.73 QSARToolbox -2 » -3
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization