Molecule ID: mol18417

SMILES: COc1ccc(-n2cc(/C=N/O)[n+](C)c2SC)cc1

InChI: InChI=1S/C13H15N3O2S/c1-15-11(8-14-17)9-16(13(15)19-3)10-4-6-12(18-2)7-5-10/h4-9H,1-3H3/p+1/b14-8+

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
9.38 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization