Molecule ID: mol15298

SMILES: O=[N+]([O-])c1ccc2[nH]c(-c3cccs3)nc2c1

InChI: InChI=1S/C11H7N3O2S/c15-14(16)7-3-4-8-9(6-7)13-11(12-8)10-2-1-5-17-10/h1-6H,(H,12,13)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.36 QSARToolbox 1 » 0
2.36 OCHEM 1 » 0
2.36 Datawarrior 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization