Molecule ID: mol35344

SMILES: Cc1cc(C)c2c(O)c(N=Nc3ccc(S(=O)(=O)O)cc3)sc2n1

InChI: InChI=1S/C15H13N3O4S2/c1-8-7-9(2)16-14-12(8)13(19)15(23-14)18-17-10-3-5-11(6-4-10)24(20,21)22/h3-7,19H,1-2H3,(H,20,21,22)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
9.07 QSARToolbox -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization