Molecule ID: mol7906

SMILES: CCSc1ccc2c(c1)N=CNC2O

InChI: InChI=1S/C10H12N2OS/c1-2-14-7-3-4-8-9(5-7)11-6-12-10(8)13/h3-6,10,13H,2H2,1H3,(H,11,12)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization