Molecule ID: mol7579

SMILES: CN1C(=N)SC(c2ccccc2)C1=O

InChI: InChI=1S/C10H10N2OS/c1-12-9(13)8(14-10(12)11)7-5-3-2-4-6-7/h2-6,8,11H,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization