Molecule ID: mol3754

SMILES: CN(c1ccncc1)S(C)(=O)=O

InChI: InChI=1S/C7H10N2O2S/c1-9(12(2,10)11)7-3-5-8-6-4-7/h3-6H,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization