Molecule ID: mol1690

SMILES: CC(C)S(=O)(=O)c1ccc(N)cc1

InChI: InChI=1S/C9H13NO2S/c1-7(2)13(11,12)9-5-3-8(10)4-6-9/h3-7H,10H2,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization