Molecule ID: mol35975

SMILES: O=C(O)C(c1ccccc1)N1CCS1(=O)=O

InChI: InChI=1S/C10H11NO4S/c12-10(13)9(8-4-2-1-3-5-8)11-6-7-16(11,14)15/h1-5,9H,6-7H2,(H,12,13)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.62 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization