Molecule ID: mol28432

SMILES: CCN1c2ccc(C(C)=O)cc2NS1(=O)=O

InChI: InChI=1S/C10H12N2O3S/c1-3-12-10-5-4-8(7(2)13)6-9(10)11-16(12,14)15/h4-6,11H,3H2,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization