Molecule ID: mol13469

SMILES: [O-][S+](Cc1ccccc1)c1cnn[nH]1

InChI: InChI=1S/C9H9N3OS/c13-14(9-6-10-12-11-9)7-8-4-2-1-3-5-8/h1-6H,7H2,(H,10,11,12)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization