Molecule ID: mol12133

SMILES: N=C(N)NS(=O)(=O)c1ccc(N=Nc2ccc(O)c3ncccc23)cc1

InChI: InChI=1S/C16H14N6O3S/c17-16(18)22-26(24,25)11-5-3-10(4-6-11)20-21-13-7-8-14(23)15-12(13)2-1-9-19-15/h1-9,23H,(H4,17,18,22)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization